SCHEMBL6947446

SCHEMBL6947446

CCN(CC)CCCN1CCC(=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.42
HRH3 Q9Y5N1 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A2 P23975 1/20 0.36
HRH1 P35367 1/20 0.36
SCN1A P35498 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL6944031 0.95 SLC6A4 (0.41) ACHEHRH3SLC6A4SLC6A2HRH1
SCHEMBL6946543 0.93 SLC6A4 (0.43) ACHESLC6A4SLC6A2HRH1MAOB
SCHEMBL6948445 0.89 SIGMAR1 (0.38) ACHEHRH3SLC6A4SLC6A2
SCHEMBL6947798 0.87 RAB9A (0.38) HRH3
SCHEMBL6947483 0.87 SIGMAR1 (0.39) HRH3
SCHEMBL11216531 0.86 PKM (0.39) HRH3
SCHEMBL6947715 0.82 PKM (0.39) HRH3
SCHEMBL6948497 0.82 PKM (0.36) HRH3
SCHEMBL6946289 0.81 ALOX15 (0.41) HRH3SLC6A4SLC6A2HRH1SCN1A
SCHEMBL6942241 0.81 PKM (0.38) HRH3

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
US-6028161-A EXCELLENT TRANSPARENCY, HEAT RESISTANCE AND MECHANICAL PROPERTIES AND A LOW BIREFRINGENCE, MELT FLUIDITY AND MOLDABILITY; AN OPTICAL DISK, LENS AND AN OPTICAL FIBER MITSUI CHEMICALS, INC. (JP) 2000-02-22 US disclosed
WO-1999043675-A1 6,9-DISUBSTITUTED 2-[TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES AVENTIS PHARMACEUTICALS INC. (US) 1999-09-02 WO disclosed
EP-0926180-A2 A polycarbonate copolymer and applications thereof Mitsui Chemicals, Inc. (JP) 1999-06-30 EP 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 ACHE 3357/4885HRH3 2734/4885SLC6A4 1256/4885

“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.