SCHEMBL6946031

SCHEMBL6946031

O=C1CCN(CCN2CCOCC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.47
GLA P06280 1/20 0.47
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 2/20 0.46
KEAP1 Q14145 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KMT2A Q03164 4/20 0.42
MAPT P10636 3/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
ACHE P22303 2/20 0.41
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL6945697 0.80 HRH3 (0.47) ALDH1A1MAPTPOLBSIGMAR1ACHE
SCHEMBL235080 0.79 KDM4E (0.65) DAOGLAALDH1A1KDM4EKEAP1
SCHEMBL6943484 0.78 HRH3 (0.50) ALDH1A1SMN1; SMN2MAPTPOLBSIGMAR1
SCHEMBL10001920 0.77 GLA (0.48) DAOGLAALDH1A1KDM4EKEAP1
SCHEMBL8016659 0.77 HRH3 (0.45)
SCHEMBL6945989 0.76 PAOX (0.39) MAPTSIGMAR1ACHE
SCHEMBL11856358 0.76 KDM4E (0.70) DAOGLAALDH1A1KDM4EKEAP1
SCHEMBL10913328 0.76 KDM4E (0.70) DAOGLAALDH1A1KDM4EKEAP1
SCHEMBL30074057 0.76 ACHE (0.46) DAOGLAALDH1A1KDM4EKEAP1
SCHEMBL4996266 0.75 CA12 (0.35) ALDH1A1SMN1; SMN2MAPTPOLBL3MBTL1

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 DAO 822/4885GLA 4631/4885ALDH1A1 2147/4885

“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.