SCHEMBL6941326

SCHEMBL6941326

ON=C1CCN(CCCCCOCc2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEAD3 Q99594 2/20 0.51
LTA4H P09960 1/20 0.50
GBA1 P04062 2/20 0.46
UGCG Q16739 2/20 0.46
GBA2 Q9HCG7 2/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPY1R P25929 1/20 0.45
BCHE P06276 1/20 0.45
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
HRH3 Q9Y5N1 2/20 0.44
SIGMAR1 Q99720 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL8107908 1.00 TEAD3 (0.51) TEAD3LTA4HGBA1UGCGGBA2
SCHEMBL8100017 1.00 TEAD3 (0.51) TEAD3LTA4HGBA1UGCGGBA2
SCHEMBL6945322 1.00 TEAD3 (0.51) TEAD3LTA4HGBA1UGCGGBA2
SCHEMBL6947746 0.99 TEAD3 (0.52) TEAD3LTA4HGBA1UGCGGBA2
SCHEMBL8108494 0.99 TEAD3 (0.52) TEAD3LTA4HGBA1UGCGGBA2
SCHEMBL6944656 0.95 TEAD3 (0.56) TEAD3LTA4HKDM4EALDH1A1NPC1
SCHEMBL8099349 0.95 TEAD3 (0.56) TEAD3LTA4HKDM4EALDH1A1NPC1
SCHEMBL6941703 0.82 TEAD3 (0.54) TEAD3LTA4HGBA1UGCGGBA2
SCHEMBL6941768 0.82 TEAD3 (0.54) TEAD3LTA4HGBA1UGCGGBA2
SCHEMBL8109617 0.82 TEAD3 (0.54) TEAD3LTA4HGBA1UGCGGBA2

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 2750/4885GBA1 4243/4885

“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.