SCHEMBL3791998

SCHEMBL3791998

CC(C)(C)OC(=O)N1CC=C(c2ncccc2F)CC1

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 0.71
GRM1 Q13255 10/20 0.71
TRPV1 Q8NER1 2/20 0.55
PDE10A Q9Y233 1/20 0.53
PDK4 Q16654 1/20 0.52
TNK2 Q07912 1/20 0.48
NAMPT P43490 1/20 0.48

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
SCHEMBL3649038 0.88 GRM5 (0.56) GRM5GRM1TRPV1PDE10APDK4
SCHEMBL4001532 0.87 GRM5 (0.63) GRM5GRM1PDE10APDK4TNK2
SCHEMBL31306939 0.87 GRM5 (0.61) GRM5GRM1PDE10APDK4TNK2
SCHEMBL1458617 0.87 GRM5 (0.63) GRM5GRM1TRPV1PDE10APDK4
SCHEMBL73964 0.86 GRM5 (0.60) GRM5GRM1PDE10APDK4TNK2
SCHEMBL4000426 0.86 GRM5 (0.60) GRM5GRM1TRPV1PDE10APDK4
SCHEMBL15941818 0.85 GRM5 (0.59) GRM5GRM1PDE10APDK4TNK2
SCHEMBL20955503 0.85 GRM5 (0.59) GRM5GRM1PDE10APDK4TNK2
SCHEMBL30676170 0.84 GRM5 (0.61) GRM5GRM1PDE10APDK4NAMPT
SCHEMBL2631187 0.84 GRM5 (0.61) GRM5GRM1PDE10APDK4NAMPT

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117043154-A GPCR receptor agonists, pharmaceutical compositions comprising same, and methods of use thereof 卡莫特医疗有限公司 2023-11-10 CN disclosed
US-9732065-B2 Cyclic aminomethyl pyrimidine derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2017-08-15 US disclosed
US-9732065-B2 Cyclic aminomethyl pyrimidine derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2017-08-15 US disclosed
US-20160122319-A1 CYCLIC AMINOMETHYL PYRIMIDINE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2016-05-05 US disclosed
US-20160122319-A1 CYCLIC AMINOMETHYL PYRIMIDINE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2016-05-05 US disclosed
US-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections GENELABS TECHNOLOGIES, INC. 2010-08-12 US disclosed
US-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections GENELABS TECHNOLOGIES, INC. 2010-08-12 US disclosed
WO-2010091409-A1 CERTAIN NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GLAXOSMITHKLINE LLC (US) 2010-08-12 WO disclosed
US-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections GENELABS TECHNOLOGIES, INC. 2010-08-12 US 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 (2 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-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections OAT, HAVCR2, CPS1 GRM5 3710/4885GRM1 3072/4885TRPV1 1682/4885
US-20160122319-A1 CYCLIC AMINOMETHYL PYRIMIDINE DERIVATIVE DRD2, DRD4, DRD1 GRM5 202/4885GRM1 22/4885TRPV1 3352/4885

“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.