SCHEMBL6948856

SCHEMBL6948856

ON=C1CCN(CCN(Cc2ccccc2)Cc2ccccc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
SIGMAR1 Q99720 3/20 0.39
DPP7 Q9UHL4 1/20 0.39
OPRM1 P35372 2/20 0.38
NAMPT P43490 1/20 0.37
MAOB P27338 1/20 0.37
SLC6A3 Q01959 1/20 0.37
MEN1 O00255 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 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
SCHEMBL6942105 0.92 NAMPT (0.45) GAASIGMAR1NAMPTMAOBKDM4E
SCHEMBL6950051 0.90 HRH4 (0.42) SIGMAR1DPP7NAMPTMAOB
SCHEMBL6945219 0.89 HRH4 (0.44) SIGMAR1NAMPTMAOB
SCHEMBL5673787 0.82 SIGMAR1 (0.52) SIGMAR1MAOBSLC6A3MEN1RAB9A
SCHEMBL6950556 0.80 MAOB (0.46) SIGMAR1DPP7OPRM1NAMPTMAOB
SCHEMBL6944406 0.80 SLC6A3 (0.59) SIGMAR1SLC6A3MEN1KMT2A
SCHEMBL8114316 0.80 SLC6A3 (0.59) SIGMAR1SLC6A3MEN1KMT2A
SCHEMBL10039145 0.79 SIGMAR1 (0.58) SIGMAR1DPP7SLC6A3
Hydrochloric Acid SCHEMBL10464381 0.78 SLC6A3 (0.58) SIGMAR1SLC6A3MEN1KMT2A
SCHEMBL3958997 0.77 SIGMAR1 (0.66) SIGMAR1

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 GAA 3891/4885SIGMAR1 4659/4885DPP7 1440/4885

“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.