SCHEMBL6945253

SCHEMBL6945253

COc1ccc(CN2CCC(=NO)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.58
PTGIR P43119 1/20 0.54
POLB P06746 1/20 0.50
PKM P14618 1/20 0.50
CHKA P35790 1/20 0.50
HRH3 Q9Y5N1 1/20 0.49
ABCB1 P08183 1/20 0.49
ABCC1 P33527 1/20 0.49
ABCG2 Q9UNQ0 1/20 0.49
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
ALDH1A1 P00352 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
SCHEMBL8108479 1.00 SIGMAR1 (0.59) SIGMAR1SMN1; SMN2PTGIRPOLBPKM
Methoxymethane SCHEMBL10628191 0.83 SIGMAR1 (0.53) SIGMAR1POLBKDM4EGAAALDH1A1
SCHEMBL8099524 0.82 SIGMAR1 (0.65) SIGMAR1KDM4EGAAALDH1A1
SCHEMBL6944251 0.82 SIGMAR1 (0.65) SIGMAR1KDM4EGAAALDH1A1
SCHEMBL6949777 0.82 ALDH1A1 (0.56) SMN1; SMN2POLBHRH3KDM4EGAA
SCHEMBL8108849 0.82 ALDH1A1 (0.56) SMN1; SMN2POLBHRH3KDM4EGAA
SCHEMBL20804352 0.81 SIGMAR1 (0.85) SIGMAR1SMN1; SMN2PTGIRPOLBPKM
SCHEMBL1043952 0.81 SIGMAR1 (0.85) SIGMAR1SMN1; SMN2PTGIRPOLBPKM
SCHEMBL19285228 0.81 SIGMAR1 (0.85) SIGMAR1SMN1; SMN2PTGIRPOLBPKM
SCHEMBL6943510 0.80 ALDH1A1 (0.56) SIGMAR1POLBHRH3KDM4EGAA

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 SIGMAR1 4659/4885SMN1; SMN2 614/4885PTGIR 3141/4885

“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.