SCHEMBL6939727

SCHEMBL6939727

CCCOCCCCCN1CCC(N)CC1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GNAO1 P09471 8/20 0.69
GNAI3 P08754 7/20 0.69
GNAI1 P63096 7/20 0.69
SPHK1 Q9NYA1 1/20 0.48
HRH3 Q9Y5N1 7/20 0.41
SPHK2 Q9NRA0 1/20 0.40
HRH2 P25021 1/20 0.40
HRH1 P35367 1/20 0.40

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
SCHEMBL6941567 1.00 GNAO1 (0.69) GNAO1GNAI3GNAI1SPHK1HRH3
SCHEMBL6941550 0.98 GNAO1 (0.66) GNAO1GNAI3GNAI1SPHK1HRH3
SCHEMBL7227872 0.98 GNAO1 (0.66) GNAO1GNAI3GNAI1SPHK1HRH3
SCHEMBL6945447 0.93 GNAO1 (0.74) GNAO1GNAI3GNAI1SPHK1HRH3
SCHEMBL8108378 0.93 GNAO1 (0.74) GNAO1GNAI3GNAI1SPHK1HRH3
SCHEMBL6939850 0.93 GNAO1 (0.74) GNAO1GNAI3GNAI1SPHK1HRH3
SCHEMBL6943025 0.93 GNAI3 (0.62) GNAO1GNAI3GNAI1SPHK1HRH3
SCHEMBL6944539 0.91 GNAO1 (0.71) GNAO1GNAI3GNAI1SPHK1HRH3
SCHEMBL8115260 0.91 GNAO1 (0.71) GNAO1GNAI3GNAI1SPHK1HRH3
SCHEMBL6948316 0.88 GNAI3 (0.66) GNAO1GNAI3GNAI1SPHK1HRH3

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 GNAO1 2886/4885GNAI3 2099/4885GNAI1 2256/4885

“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.