SCHEMBL18280970

SCHEMBL18280970

CC(C)(C)OC(=O)N1CC[C@H](CNc2cnccn2)C(F)(F)C1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 12/20 0.69
GPR119 Q8TDV5 3/20 0.48
CYP2D6 P10635 3/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
KCNH2 Q12809 3/20 0.44
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
NAMPT P43490 4/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18280967 1.00 GRIN2B (0.69) GRIN2BGPR119CYP2D6CYP3A4CYP2C9
SCHEMBL20189375 1.00 GRIN2B (0.69) GRIN2BGPR119CYP2D6CYP3A4CYP2C9
SCHEMBL20189668 0.88 GRIN2B (0.69) GRIN2BGPR119CYP2D6KCNH2
SCHEMBL18280927 0.88 GRIN2B (0.69) GRIN2BGPR119CYP2D6KCNH2
SCHEMBL18280925 0.88 GRIN2B (0.69) GRIN2BGPR119CYP2D6KCNH2
SCHEMBL20203120 0.86 GRIN2B (0.55) GRIN2BGPR119CYP2D6KCNH2
SCHEMBL20203119 0.86 GRIN2B (0.55) GRIN2BGPR119CYP2D6KCNH2
SCHEMBL20189785 0.86 GRIN2B (0.55) GRIN2BGPR119CYP2D6KCNH2
SCHEMBL20202896 0.85 GRIN2B (0.54) GRIN2BGPR119CYP2D6CYP3A4CYP2C9
SCHEMBL20202897 0.85 GRIN2B (0.54) GRIN2BGPR119CYP2D6CYP3A4CYP2C9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12527799-B2 Treatment of autism spectrum disorders, obsessive-compulsive disorder and anxiety disorders RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2026-01-20 US disclosed
US-20240207273-A1 TREATMENT OF AUTISM SPECTRUM DISORDERS, OBSESSIVE-COMPULSIVE DISORDER AND ANXIETY DISORDERS RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2024-06-27 US disclosed
US-11752155-B2 Treatment of autism spectrum disorders, obsessive-compulsive disorder and anxiety disorders RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2023-09-12 US disclosed
US-11752155-B2 Treatment of autism spectrum disorders, obsessive-compulsive disorder and anxiety disorders RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2023-09-12 US disclosed
US-11752155-B2 Treatment of autism spectrum disorders, obsessive-compulsive disorder and anxiety disorders RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2023-09-12 US disclosed
US-20220024937-A1 3,3-DIFLUOROPIPERIDINE CARBAMATE HETEROCYCLIC COMPOUNDS AS NR2B NMDA RECEPTOR ANTAGONISTS RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2022-01-27 US disclosed
US-20220024937-A1 3,3-DIFLUOROPIPERIDINE CARBAMATE HETEROCYCLIC COMPOUNDS AS NR2B NMDA RECEPTOR ANTAGONISTS RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2022-01-27 US disclosed
US-11136328-B2 3,3-difluoropiperidine carbamate heterocyclic compounds as NR2B NMDA receptor antagonists RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2021-10-05 US disclosed
US-11136328-B2 3,3-difluoropiperidine carbamate heterocyclic compounds as NR2B NMDA receptor antagonists RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2021-10-05 US disclosed
US-20210220365-A1 TREATMENT OF AUTISM SPECTRUM DISORDERS, OBSESSIVE-COMPULSIVE DISORDER AND ANXIETY DISORDERS RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2021-07-22 US disclosed
US-20190298725-A1 TREATMENT OF AUTISM SPECTRUM DISORDERS, OBSESSIVE-COMPULSIVE DISORDER AND ANXIETY DISORDERS RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2019-10-03 US disclosed
US-10294230-B2 3,3-difluoropiperidine carbamate heterocyclic compounds as NR2B NMDA receptor antagonists RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2019-05-21 US disclosed
US-10294230-B2 3,3-difluoropiperidine carbamate heterocyclic compounds as NR2B NMDA receptor antagonists RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2019-05-21 US disclosed
US-20180346476-A1 3,3-DIFLUOROPIPERIDINE CARBAMATE HETEROCYCLIC COMPOUNDS AS NR2B NMDA RECEPTOR ANTAGONISTS RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2018-12-06 US disclosed
US-20180170935-A1 3,3-DIFLUOROPIPERIDINE CARBAMATE HETEROCYCLIC COMPOUNDS AS NR2B NMDA RECEPTOR ANTAGONISTS RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2018-06-21 US disclosed
US-20180170935-A1 3,3-DIFLUOROPIPERIDINE CARBAMATE HETEROCYCLIC COMPOUNDS AS NR2B NMDA RECEPTOR ANTAGONISTS RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2018-06-21 US disclosed
WO-2018098128-A1 TREATMENT OF AUTISM SPECTRUM DISORDERS, OBSESSIVE-COMPULSIVE DISORDER AND ANXIETY DISORDERS RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2018-05-31 WO disclosed
EP-3303323-A1 3,3-DIFLUOROPIPERIDINE CARBAMATE HETEROCYCLIC COMPOUNDS AS NR2B NMDA RECEPTOR ANTAGONISTS Rugen Holdings (Cayman) Limited (KY) 2018-04-11 EP disclosed
WO-2016196513-A1 3,3-DIFLUOROPIPERIDINE CARBAMATE HETEROCYCLIC COMPOUNDS AS NR2B NMDA RECEPTOR ANTAGONISTS RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2016-12-08 WO disclosed
WO-2016196513-A1 3,3-DIFLUOROPIPERIDINE CARBAMATE HETEROCYCLIC COMPOUNDS AS NR2B NMDA RECEPTOR ANTAGONISTS RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2016-12-08 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180170935-A1 3,3-DIFLUOROPIPERIDINE CARBAMATE HETEROCYCLIC COMPOUNDS AS NR2B NMDA RECEPTOR ANTAGONISTS GRIN3A, GRIN1, GRIN2A GRIN2B 4/4885GPR119 123/4885CYP2D6 1639/4885
US-20180346476-A1 3,3-DIFLUOROPIPERIDINE CARBAMATE HETEROCYCLIC COMPOUNDS AS NR2B NMDA RECEPTOR ANTAGONISTS GRIN3A, GRIN1, GRIN2A GRIN2B 4/4885GPR119 128/4885CYP2D6 1584/4885
US-10294230-B2 3,3-difluoropiperidine carbamate heterocyclic compounds as NR2B NMDA receptor antagonists GRIN3A, GRIN1, GRIN2A GRIN2B 4/4885GPR119 128/4885CYP2D6 1584/4885
US-20190298725-A1 TREATMENT OF AUTISM SPECTRUM DISORDERS, OBSESSIVE-COMPULSIVE DISORDER AND ANXIETY DISORDERS GRIN2A, GRIN1, GRIN2B GRIN2B 3/4885GPR119 825/4885CYP2D6 3997/4885
US-20220024937-A1 3,3-DIFLUOROPIPERIDINE CARBAMATE HETEROCYCLIC COMPOUNDS AS NR2B NMDA RECEPTOR ANTAGONISTS GRIN3A, GRIN1, GRIN2A GRIN2B 4/4885GPR119 123/4885CYP2D6 1639/4885
US-11136328-B2 3,3-difluoropiperidine carbamate heterocyclic compounds as NR2B NMDA receptor antagonists GRIN3A, GRIN1, GRIN2A GRIN2B 4/4885GPR119 123/4885CYP2D6 1639/4885
US-20210220365-A1 TREATMENT OF AUTISM SPECTRUM DISORDERS, OBSESSIVE-COMPULSIVE DISORDER AND ANXIETY DISORDERS GRIN2A, GRIN1, GRIN2B GRIN2B 3/4885GPR119 825/4885CYP2D6 3997/4885
US-12527799-B2 Treatment of autism spectrum disorders, obsessive-compulsive disorder and anxiety disorders GRIN2C, GRIN3A, GRIN1 GRIN2B 8/4885GPR119 1348/4885CYP2D6 2168/4885
US-11752155-B2 Treatment of autism spectrum disorders, obsessive-compulsive disorder and anxiety disorders GRIN2A, GRIN1, GRIN2B GRIN2B 3/4885GPR119 825/4885CYP2D6 3997/4885
US-20240207273-A1 TREATMENT OF AUTISM SPECTRUM DISORDERS, OBSESSIVE-COMPULSIVE DISORDER AND ANXIETY DISORDERS GRIN2A, GRIN1, GRIN2B GRIN2B 3/4885GPR119 825/4885CYP2D6 3997/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.