SCHEMBL6947704

SCHEMBL6947704

CCCOCCCCCCN1CCC(=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.40
GNAI3 P08754 3/20 0.38
GNAO1 P09471 3/20 0.38
GNAI1 P63096 3/20 0.38
LTA4H P09960 1/20 0.36
S1PR5 Q9H228 1/20 0.36
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL6944340 1.00 HRH3 (0.40) HRH3GNAI3GNAO1GNAI1LTA4H
SCHEMBL8108225 1.00 HRH3 (0.40) HRH3GNAI3GNAO1GNAI1LTA4H
SCHEMBL8109188 1.00 HRH3 (0.40) HRH3GNAI3GNAO1GNAI1LTA4H
SCHEMBL8108595 0.98 HRH3 (0.40) HRH3GNAI3GNAO1GNAI1ALDH1A1
SCHEMBL6943462 0.98 HRH3 (0.40) HRH3GNAI3GNAO1GNAI1ALDH1A1
SCHEMBL8099644 0.93 LTA4H (0.43) HRH3GNAI3GNAO1GNAI1LTA4H
SCHEMBL6946156 0.93 LTA4H (0.43) HRH3GNAI3GNAO1GNAI1LTA4H
SCHEMBL8108844 0.93 LTA4H (0.43) HRH3GNAI3GNAO1GNAI1LTA4H
SCHEMBL6946978 0.93 LTA4H (0.43) HRH3GNAI3GNAO1GNAI1LTA4H
SCHEMBL6947764 0.93 HRH3 (0.44) HRH3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1143858-C 6, 9-disubstituted 2- [ trans- (aminocyclohexyl) amino ] purines, compositions and uses thereof ������ҩ�����޹�˾ 2004-03-31 CN disclosed
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
CN-1292789-A 6,9-disubstituted 2-[trans-(4-aminocyclohexyl) amino] purines AWANDIS PHARMACEUTICAL CORP (US) 2001-04-25 CN 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 HRH3 2734/4885GNAI3 2099/4885GNAO1 2886/4885

“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.