SCHEMBL6947336

SCHEMBL6947336

NC1CCN(CCCCOCc2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.55
TEAD3 Q99594 1/20 0.52
BCHE P06276 2/20 0.51
HRH3 Q9Y5N1 3/20 0.50
SIGMAR1 Q99720 5/20 0.48
TMEM97 Q5BJF2 1/20 0.48
CCR3 P51677 1/20 0.48
MEN1 O00255 1/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
TSHR P16473 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 1/20 0.48
GBA1 P04062 2/20 0.47
UGCG Q16739 2/20 0.47
GBA2 Q9HCG7 2/20 0.47
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47

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
SCHEMBL8109363 1.00 LTA4H (0.55) LTA4HTEAD3BCHEHRH3SIGMAR1
SCHEMBL6947688 0.99 LTA4H (0.54) LTA4HTEAD3BCHEHRH3SIGMAR1
SCHEMBL8115844 0.99 LTA4H (0.54) LTA4HTEAD3BCHEHRH3SIGMAR1
SCHEMBL6943888 0.99 LTA4H (0.54) LTA4HTEAD3BCHEHRH3SIGMAR1
SCHEMBL6942319 0.95 TEAD3 (0.56) LTA4HTEAD3HRH3SIGMAR1TMEM97
SCHEMBL17284609 0.94 LTA4H (0.61) LTA4HTEAD3HRH3SIGMAR1TMEM97
SCHEMBL17284647 0.87 HRH3 (0.59) HRH3SIGMAR1CCR3MEN1TP53
SCHEMBL4318812 0.85 LTA4H (0.65) LTA4HTEAD3HRH3SIGMAR1TMEM97
SCHEMBL6855553 0.85 TEAD3 (0.58) LTA4HTEAD3HRH3SIGMAR1TMEM97
SCHEMBL27540109 0.83 LTA4H (0.72) LTA4HTEAD3HRH3SIGMAR1KDM4E

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 LTA4H 2750/4885TEAD3 1505/4885BCHE 1985/4885

“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.