SCHEMBL5664181

SCHEMBL5664181

Cc1nnc2n1-c1sc3c(c1C(c1ccccc1Cl)=NC2)CCNC3

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 16/20 0.57
OPRK1 P41145 2/20 0.55
PDE4D Q08499 2/20 0.55
GABRA1 P14867 1/20 0.48
GABRG2 P18507 1/20 0.48
HTR2A P28223 1/20 0.48
GABRB3 P28472 1/20 0.48
GABRA5 P31644 1/20 0.48
GABRA3 P34903 1/20 0.48
ADRA1A P35348 1/20 0.48
GABRA2 P47869 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
SCHEMBL5664142 0.89 PTAFR (0.46) PTAFROPRK1PDE4DGABRA1GABRG2
SCHEMBL5663627 0.88 OPRK1 (0.48) PTAFROPRK1PDE4DGABRA1GABRG2
SCHEMBL5664536 0.87 OPRK1 (0.45) PTAFROPRK1PDE4D
SCHEMBL24997553 0.86 PTAFR (0.60) PTAFROPRK1PDE4DGABRA1GABRG2
SCHEMBL5666201 0.86 GABRA1 (0.43) PTAFROPRK1PDE4DGABRA1GABRA5
SCHEMBL5664049 0.86 PTAFR (0.43) PTAFROPRK1PDE4D
SCHEMBL5664178 0.86 PTAFR (0.48) PTAFROPRK1PDE4D
SCHEMBL5666605 0.85 PTAFR (0.46) PTAFROPRK1PDE4D
SCHEMBL5664306 0.85 PTAFR (0.43) PTAFROPRK1PDE4D
SCHEMBL5665941 0.85 PTAFR (0.42) PTAFROPRK1PDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7015213-B1 Use of diazepines for preparing medicines for treating pathological conditions or diseases involving one of the growth hormone release inhibiting factor receptors SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2006-03-21 US claimed
US-7015213-B1 Use of diazepines for preparing medicines for treating pathological conditions or diseases involving one of the growth hormone release inhibiting factor receptors SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2006-03-21 US disclosed
US-6987105-B2 Synthesis and use of thienotriazolodiazepines BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2006-01-17 US disclosed
US-20030229078-A1 Synthesis and use of thienotriazolodiazepines NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-12-11 US disclosed
US-5492906-A ANTIASTHMATICS, ANTIALLERGENS, GASTROINTESTINAL PROTECTORS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1996-02-20 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 (1 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-20030229078-A1 Synthesis and use of thienotriazolodiazepines TBXAS1, TBXA2R, P2RY10 PTAFR 5/4885OPRK1 1353/4885PDE4D 572/4885

“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.