SCHEMBL6941811

SCHEMBL6941811

CCCCN(CCCC)CCCCN1CCC(=NO)CC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
GNAI3 P08754 3/20 0.34
GNAO1 P09471 3/20 0.34
GNAI1 P63096 3/20 0.34
PKM P14618 1/20 0.34
SETD7 Q8WTS6 1/20 0.33
ABCB1 P08183 1/20 0.33
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32

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
SCHEMBL6945967 0.98 GNAI3 (0.37) CHRNA7SIGMAR1GNAI3GNAO1GNAI1
SCHEMBL6941214 0.95 CHRNA7 (0.37) CHRNA7SIGMAR1GNAI3GNAO1GNAI1
SCHEMBL6939506 0.94 CHRNA7 (0.36) CHRNA7SIGMAR1GNAI3GNAO1GNAI1
SCHEMBL6942258 0.92 CHRNA7 (0.35) CHRNA7SIGMAR1GNAI3GNAO1GNAI1
SCHEMBL6946308 0.92 SIGMAR1 (0.42) CHRNA7SIGMAR1OPRM1OPRD1OPRK1
SCHEMBL6941483 0.89 CHRNA7 (0.37) CHRNA7
SCHEMBL6948720 0.89 CHRNA7 (0.37) CHRNA7SIGMAR1OPRM1OPRD1OPRK1
SCHEMBL6942226 0.88 CHRNA7 (0.36) CHRNA7
SCHEMBL6942014 0.85 CHRNA7 (0.44) CHRNA7SIGMAR1GNAI3GNAO1GNAI1
SCHEMBL8108441 0.85 CHRNA7 (0.44) CHRNA7SIGMAR1GNAI3GNAO1GNAI1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6642231-B2 Antineoplastic agents, treatment for neuronal injury and degeneration AVENTIS PHARMACEUTICALS INC. 2003-11-04 US disclosed
EP-1056744-B1 6,9-DISUBSTITUTED 2- TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES AVENTIS PHARMA INC (US) 2003-10-22 EP disclosed
US-20030105098-A1 6,9-disubstituted 2-[trans-(4-aminocyclohexyl) amino] purines AVENTISUB II INC. 2003-06-05 US disclosed
US-6479487-B1 INHIBIT CYCLIN DEPENDENT KINASES, PARTICULARLY CDK-2; ANTIAPOPTOSIS AGENT; INHIBITS DEVELOPMENT OF NEOPLASMS AVENTIS PHARMACEUTICALS INC. 2002-11-12 US disclosed
EP-1056744-A1 6,9-DISUBSTITUTED 2- TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES Aventis Pharmaceuticals Inc. (US) 2000-12-06 EP disclosed
WO-1999043675-A1 6,9-DISUBSTITUTED 2-[TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES AVENTIS PHARMACEUTICALS INC. (US) 1999-09-02 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 (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-20030105098-A1 6,9-disubstituted 2-[trans-(4-aminocyclohexyl) amino] purines CDK6, CDK5, CDK2 CHRNA7 3390/4885SIGMAR1 4659/4885GNAI3 2099/4885

“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.