SCHEMBL6944392

SCHEMBL6944392

COCCCCN1CCC(=NO)CC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.39
ALDH1A1 P00352 8/20 0.36
KDM4E B2RXH2 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
SLC29A1 Q99808 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
LMNA P02545 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL8108952 1.00 CHRNA7 (0.39) CHRNA7ALDH1A1KDM4EMEN1KMT2A
SCHEMBL8114465 0.98 CHRNA7 (0.38) CHRNA7ALDH1A1KDM4EMEN1KMT2A
SCHEMBL8109720 0.98 CHRNA7 (0.38) CHRNA7ALDH1A1KDM4EMEN1KMT2A
SCHEMBL6946834 0.98 CHRNA7 (0.38) CHRNA7ALDH1A1KDM4EMEN1KMT2A
SCHEMBL6939591 0.98 CHRNA7 (0.38) CHRNA7ALDH1A1KDM4EMEN1KMT2A
SCHEMBL6945351 0.95 CHRNA7 (0.40) CHRNA7ALDH1A1KDM4EMEN1KMT2A
SCHEMBL8113214 0.95 CHRNA7 (0.40) CHRNA7ALDH1A1KDM4EMEN1KMT2A
SCHEMBL6949658 0.83 ALDH1A1 (0.38) CHRNA7ALDH1A1KDM4EMEN1KMT2A
SCHEMBL8108852 0.83 ALDH1A1 (0.38) CHRNA7ALDH1A1KDM4EMEN1KMT2A
SCHEMBL6942975 0.82 HRH3 (0.38) CHRNA7ALDH1A1KDM4EMEN1KMT2A

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 CHRNA7 3390/4885ALDH1A1 2147/4885KDM4E 990/4885

“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.