SCHEMBL20202871

SCHEMBL20202871

O=C(OCc1ccc(C(F)F)cc1)N1CCC(CNc2ccncc2)C(F)(F)C1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 20/20 0.61
CYP2D6 P10635 5/20 0.55
CYP2C9 P11712 3/20 0.55
KCNH2 Q12809 3/20 0.53
CYP3A4 P08684 2/20 0.44

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
SCHEMBL20189354 1.00 GRIN2B (0.61) GRIN2BCYP2D6CYP2C9KCNH2CYP3A4
SCHEMBL21404310 1.00 GRIN2B (0.61) GRIN2BCYP2D6CYP2C9KCNH2CYP3A4
SCHEMBL20189929 0.97 GRIN2B (0.60) GRIN2BCYP2D6CYP2C9KCNH2CYP3A4
SCHEMBL20190519 0.97 GRIN2B (0.60) GRIN2BCYP2D6CYP2C9KCNH2CYP3A4
SCHEMBL20203014 0.90 GRIN2B (0.64) GRIN2BCYP2D6CYP2C9KCNH2CYP3A4
SCHEMBL20189724 0.90 GRIN2B (0.64) GRIN2BCYP2D6CYP2C9KCNH2CYP3A4
SCHEMBL20202821 0.90 GRIN2B (0.64) GRIN2BCYP2D6CYP2C9KCNH2CYP3A4
SCHEMBL20202823 0.89 GRIN2B (0.77) GRIN2BCYP2D6CYP2C9KCNH2
SCHEMBL20189296 0.89 GRIN2B (0.77) GRIN2BCYP2D6CYP2C9KCNH2
SCHEMBL21404311 0.89 GRIN2B (0.77) GRIN2BCYP2D6CYP2C9KCNH2

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 7 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-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-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 3/4885CYP2D6 3997/4885CYP2C9 3374/4885
US-20190298725-A1 TREATMENT OF AUTISM SPECTRUM DISORDERS, OBSESSIVE-COMPULSIVE DISORDER AND ANXIETY DISORDERS GRIN2A, GRIN1, GRIN2B GRIN2B 3/4885CYP2D6 3997/4885CYP2C9 3374/4885
US-20210220365-A1 TREATMENT OF AUTISM SPECTRUM DISORDERS, OBSESSIVE-COMPULSIVE DISORDER AND ANXIETY DISORDERS GRIN2A, GRIN1, GRIN2B GRIN2B 3/4885CYP2D6 3997/4885CYP2C9 3374/4885
US-12527799-B2 Treatment of autism spectrum disorders, obsessive-compulsive disorder and anxiety disorders GRIN2C, GRIN3A, GRIN1 GRIN2B 8/4885CYP2D6 2168/4885CYP2C9 2840/4885
US-11752155-B2 Treatment of autism spectrum disorders, obsessive-compulsive disorder and anxiety disorders GRIN2A, GRIN1, GRIN2B GRIN2B 3/4885CYP2D6 3997/4885CYP2C9 3374/4885
US-20240207273-A1 TREATMENT OF AUTISM SPECTRUM DISORDERS, OBSESSIVE-COMPULSIVE DISORDER AND ANXIETY DISORDERS GRIN2A, GRIN1, GRIN2B GRIN2B 3/4885CYP2D6 3997/4885CYP2C9 3374/4885

“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.