SCHEMBL20202902

SCHEMBL20202902

CC(C)(C)OC(=O)N1CC[C@H](CNc2cnc(C#N)cn2)C(F)(F)C1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 11/20 0.54
GPR119 Q8TDV5 6/20 0.50
KCNH2 Q12809 3/20 0.42
CYP2D6 P10635 2/20 0.42
CHEK1 O14757 2/20 0.40
CHEK2 O96017 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
SCHEMBL20190181 1.00 GRIN2B (0.54) GRIN2BGPR119KCNH2CYP2D6CHEK1
SCHEMBL20202904 1.00 GRIN2B (0.54) GRIN2BGPR119KCNH2CYP2D6CHEK1
SCHEMBL20189668 0.88 GRIN2B (0.69) GRIN2BGPR119KCNH2CYP2D6
SCHEMBL18280927 0.88 GRIN2B (0.69) GRIN2BGPR119KCNH2CYP2D6
SCHEMBL18280925 0.88 GRIN2B (0.69) GRIN2BGPR119KCNH2CYP2D6
SCHEMBL20189987 0.84 GRIN2B (0.51) GRIN2BGPR119KCNH2CYP2D6
SCHEMBL20189988 0.84 GRIN2B (0.51) GRIN2BGPR119KCNH2CYP2D6
SCHEMBL20190212 0.84 GRIN2B (0.51) GRIN2BGPR119KCNH2CYP2D6
SCHEMBL18280970 0.84 GRIN2B (0.69) GRIN2BGPR119KCNH2CYP2D6
SCHEMBL20189375 0.84 GRIN2B (0.69) GRIN2BGPR119KCNH2CYP2D6

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 11 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-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-20210220365-A1 TREATMENT OF AUTISM SPECTRUM DISORDERS, OBSESSIVE-COMPULSIVE DISORDER AND ANXIETY DISORDERS RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2021-07-22 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-11000526-B2 Treatment of autism spectrum disorders, obsessive-compulsive disorder and anxiety disorders RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2021-05-11 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
WO-2018098128-A1 TREATMENT OF AUTISM SPECTRUM DISORDERS, OBSESSIVE-COMPULSIVE DISORDER AND ANXIETY DISORDERS RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2018-05-31 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 (6 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 3/4885GPR119 825/4885KCNH2 2849/4885
US-20190298725-A1 TREATMENT OF AUTISM SPECTRUM DISORDERS, OBSESSIVE-COMPULSIVE DISORDER AND ANXIETY DISORDERS GRIN2A, GRIN1, GRIN2B GRIN2B 3/4885GPR119 825/4885KCNH2 2849/4885
US-20210220365-A1 TREATMENT OF AUTISM SPECTRUM DISORDERS, OBSESSIVE-COMPULSIVE DISORDER AND ANXIETY DISORDERS GRIN2A, GRIN1, GRIN2B GRIN2B 3/4885GPR119 825/4885KCNH2 2849/4885
US-12527799-B2 Treatment of autism spectrum disorders, obsessive-compulsive disorder and anxiety disorders GRIN2C, GRIN3A, GRIN1 GRIN2B 8/4885GPR119 1348/4885KCNH2 351/4885
US-11752155-B2 Treatment of autism spectrum disorders, obsessive-compulsive disorder and anxiety disorders GRIN2A, GRIN1, GRIN2B GRIN2B 3/4885GPR119 825/4885KCNH2 2849/4885
US-20240207273-A1 TREATMENT OF AUTISM SPECTRUM DISORDERS, OBSESSIVE-COMPULSIVE DISORDER AND ANXIETY DISORDERS GRIN2A, GRIN1, GRIN2B GRIN2B 3/4885GPR119 825/4885KCNH2 2849/4885

“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.