SCHEMBL6942319

SCHEMBL6942319

NC1CCN(CCCOCc2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TEAD3 Q99594 2/20 0.56
LTA4H P09960 2/20 0.56
HRH3 Q9Y5N1 6/20 0.55
TMEM97 Q5BJF2 2/20 0.52
SIGMAR1 Q99720 2/20 0.52
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
HRH2 P25021 1/20 0.48
HRH1 P35367 1/20 0.48

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
SCHEMBL6947336 0.95 LTA4H (0.55) TEAD3LTA4HHRH3TMEM97SIGMAR1
SCHEMBL8109363 0.95 LTA4H (0.55) TEAD3LTA4HHRH3TMEM97SIGMAR1
SCHEMBL17284609 0.95 LTA4H (0.61) TEAD3LTA4HHRH3TMEM97SIGMAR1
SCHEMBL6943888 0.94 LTA4H (0.54) TEAD3LTA4HHRH3TMEM97SIGMAR1
SCHEMBL6947688 0.94 LTA4H (0.54) TEAD3LTA4HHRH3TMEM97SIGMAR1
SCHEMBL8115844 0.94 LTA4H (0.54) TEAD3LTA4HHRH3TMEM97SIGMAR1
SCHEMBL6855553 0.89 TEAD3 (0.58) TEAD3LTA4HHRH3TMEM97SIGMAR1
SCHEMBL4318812 0.87 LTA4H (0.65) TEAD3LTA4HHRH3TMEM97SIGMAR1
SCHEMBL22440218 0.84 LTA4H (0.77) TEAD3LTA4HHRH3SIGMAR1KDM4E
SCHEMBL31039760 0.83 LTA4H (0.55) TEAD3LTA4HHRH3KDM4EALDH1A1

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 TEAD3 1505/4885LTA4H 2750/4885HRH3 2734/4885

“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.