SCHEMBL6944119

SCHEMBL6944119

CN1CCN(CCN2CCC(N)CC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 2/20 0.53
GNAO1 P09471 2/20 0.53
GNAI1 P63096 2/20 0.53
SPHK1 Q9NYA1 1/20 0.42
NCF1 P14598 1/20 0.39
TP53 P04637 1/20 0.37
ALOX15 P16050 1/20 0.36
PAOX Q6QHF9 1/20 0.35
LMNA P02545 1/20 0.35
CARM1 Q86X55 1/20 0.34
PRMT6 Q96LA8 1/20 0.34
PRMT1 Q99873 1/20 0.34
PRMT8 Q9NR22 1/20 0.34
KDM1A O60341 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HRH2 P25021 1/20 0.34
HRH1 P35367 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL2761807 0.81 CARM1 (0.54) GNAI3GNAO1GNAI1SPHK1CARM1
SCHEMBL6946272 0.80 GNAI3 (0.52) GNAI3GNAO1GNAI1SPHK1LMNA
Hydrochloric Acid SCHEMBL913812 0.79 GNAI3 (0.57) GNAI3GNAO1GNAI1SPHK1CARM1
SCHEMBL56445 0.79
SCHEMBL40839 0.79 PAOX (0.46) ALOX15PAOXLMNAKDM1ASIGMAR1
SCHEMBL6143515 0.79 PAOX (0.46) ALOX15PAOXLMNAKDM1ASIGMAR1
SCHEMBL13391216 0.79 DRD2 (0.49) GNAI3GNAO1GNAI1NCF1TP53
SCHEMBL13415665 0.79 DRD2 (0.49) GNAI3GNAO1GNAI1NCF1TP53
SCHEMBL2761795 0.78 GNAI3 (0.50) GNAI3GNAO1GNAI1SPHK1LMNA
SCHEMBL2761704 0.78 GNAI3 (0.50) GNAI3GNAO1GNAI1SPHK1LMNA

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
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
EP-1015244-A1 PROCESSLESS, LASER IMAGEABLE LITHOGRAPHIC PRINTING PLATE Kodak Polychrome Graphics (US) 2000-07-05 EP disclosed
WO-1999043675-A1 6,9-DISUBSTITUTED 2-[TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES AVENTIS PHARMACEUTICALS INC. (US) 1999-09-02 WO disclosed
WO-1999011457-A1 PROCESSLESS, LASER IMAGEABLE LITHOGRAPHIC PRINTING PLATE KODAK POLYCHROME GRAPHICS LLC (US) 1999-03-11 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 GNAI3 2099/4885GNAO1 2886/4885GNAI1 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.