SCHEMBL18280925

SCHEMBL18280925

Cc1cnc(NCC2CCN(C(=O)OC(C)(C)C)CC2(F)F)cn1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 13/20 0.69
KCNH2 Q12809 3/20 0.47
CYP2D6 P10635 2/20 0.47
WNT3A P56704 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
STS P08842 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39
GPR119 Q8TDV5 1/20 0.39

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
SCHEMBL20189668 1.00 GRIN2B (0.69) GRIN2BKCNH2CYP2D6WNT3AMEN1
SCHEMBL18280927 1.00 GRIN2B (0.69) GRIN2BKCNH2CYP2D6WNT3AMEN1
SCHEMBL20203122 0.88 GRIN2B (0.61) GRIN2BKCNH2CYP2D6WNT3AKMT2A
SCHEMBL20189375 0.88 GRIN2B (0.69) GRIN2BKCNH2CYP2D6GPR119
SCHEMBL18280970 0.88 GRIN2B (0.69) GRIN2BKCNH2CYP2D6GPR119
SCHEMBL20203123 0.88 GRIN2B (0.61) GRIN2BKCNH2CYP2D6WNT3AKMT2A
SCHEMBL18280967 0.88 GRIN2B (0.69) GRIN2BKCNH2CYP2D6GPR119
SCHEMBL20190282 0.88 GRIN2B (0.61) GRIN2BKCNH2CYP2D6WNT3AKMT2A
SCHEMBL20202904 0.88 GRIN2B (0.54) GRIN2BKCNH2CYP2D6GPR119
SCHEMBL20190181 0.88 GRIN2B (0.54) GRIN2BKCNH2CYP2D6GPR119

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 15 patents. 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-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-20210220365-A1 TREATMENT OF AUTISM SPECTRUM DISORDERS, OBSESSIVE-COMPULSIVE DISORDER AND ANXIETY DISORDERS RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2021-07-22 US disclosed
US-11000526-B2 Treatment of autism spectrum disorders, obsessive-compulsive disorder and anxiety disorders RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2021-05-11 US disclosed
US-20200299300-A1 3,3-DIFLUOROPIPERIDINE CARBAMATE HETEROCYCLIC COMPOUNDS AS NR2B NMDA RECEPTOR ANTAGONISTS RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2020-09-24 US disclosed
US-10584127-B2 3,3-difluoropiperidine carbamate heterocyclic compounds as NR2B NMDA receptor antagonists RUGEN HOLDINGS (CAYMAN) LIMITED (BM) 2020-03-10 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-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
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

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

For each of this compound's patents that has machine-readable text (13 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-11000526-B2 Treatment of autism spectrum disorders, obsessive-compulsive disorder and anxiety disorders GRIN2A, GRIN1, GRIN2B GRIN2B 3/4885KCNH2 2849/4885CYP2D6 3997/4885
US-20200299300-A1 3,3-DIFLUOROPIPERIDINE CARBAMATE HETEROCYCLIC COMPOUNDS AS NR2B NMDA RECEPTOR ANTAGONISTS GRIN3A, GRIN1, GRIN2A GRIN2B 4/4885KCNH2 392/4885CYP2D6 1639/4885
US-20180170935-A1 3,3-DIFLUOROPIPERIDINE CARBAMATE HETEROCYCLIC COMPOUNDS AS NR2B NMDA RECEPTOR ANTAGONISTS GRIN3A, GRIN1, GRIN2A GRIN2B 4/4885KCNH2 392/4885CYP2D6 1639/4885
US-20180346476-A1 3,3-DIFLUOROPIPERIDINE CARBAMATE HETEROCYCLIC COMPOUNDS AS NR2B NMDA RECEPTOR ANTAGONISTS GRIN3A, GRIN1, GRIN2A GRIN2B 4/4885KCNH2 403/4885CYP2D6 1584/4885
US-10294230-B2 3,3-difluoropiperidine carbamate heterocyclic compounds as NR2B NMDA receptor antagonists GRIN3A, GRIN1, GRIN2A GRIN2B 4/4885KCNH2 403/4885CYP2D6 1584/4885
US-20190298725-A1 TREATMENT OF AUTISM SPECTRUM DISORDERS, OBSESSIVE-COMPULSIVE DISORDER AND ANXIETY DISORDERS GRIN2A, GRIN1, GRIN2B GRIN2B 3/4885KCNH2 2849/4885CYP2D6 3997/4885
US-20220024937-A1 3,3-DIFLUOROPIPERIDINE CARBAMATE HETEROCYCLIC COMPOUNDS AS NR2B NMDA RECEPTOR ANTAGONISTS GRIN3A, GRIN1, GRIN2A GRIN2B 4/4885KCNH2 392/4885CYP2D6 1639/4885
US-11136328-B2 3,3-difluoropiperidine carbamate heterocyclic compounds as NR2B NMDA receptor antagonists GRIN3A, GRIN1, GRIN2A GRIN2B 4/4885KCNH2 392/4885CYP2D6 1639/4885
US-10584127-B2 3,3-difluoropiperidine carbamate heterocyclic compounds as NR2B NMDA receptor antagonists GRIN3A, GRIN1, GRIN2A GRIN2B 4/4885KCNH2 392/4885CYP2D6 1639/4885
US-20210220365-A1 TREATMENT OF AUTISM SPECTRUM DISORDERS, OBSESSIVE-COMPULSIVE DISORDER AND ANXIETY DISORDERS GRIN2A, GRIN1, GRIN2B GRIN2B 3/4885KCNH2 2849/4885CYP2D6 3997/4885
US-12527799-B2 Treatment of autism spectrum disorders, obsessive-compulsive disorder and anxiety disorders GRIN2C, GRIN3A, GRIN1 GRIN2B 8/4885KCNH2 351/4885CYP2D6 2168/4885
US-11752155-B2 Treatment of autism spectrum disorders, obsessive-compulsive disorder and anxiety disorders GRIN2A, GRIN1, GRIN2B GRIN2B 3/4885KCNH2 2849/4885CYP2D6 3997/4885
US-20240207273-A1 TREATMENT OF AUTISM SPECTRUM DISORDERS, OBSESSIVE-COMPULSIVE DISORDER AND ANXIETY DISORDERS GRIN2A, GRIN1, GRIN2B GRIN2B 3/4885KCNH2 2849/4885CYP2D6 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.