SCHEMBL4037783

SCHEMBL4037783

CC(C)N1CCCN(C(=O)c2ccc(N)cc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.70
ALDH1A1 P00352 3/20 0.63
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
LMNA P02545 1/20 0.63
HRH3 Q9Y5N1 13/20 0.59
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
HTT P42858 1/20 0.51
EPHX2 P34913 1/20 0.50
HPGD P15428 1/20 0.50

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
SCHEMBL1409824 0.94 CHRNA7 (0.64) CHRNA7ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6633015 0.88 CHRNA7 (0.70) CHRNA7ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL15624886 0.85 CHRNA7 (0.94) CHRNA7ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL1447408 0.85 HRH3 (0.71) CHRNA7ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL3915425 0.84 CHRNA7 (0.68) CHRNA7ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4764024 0.84 HPGD (0.69) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL3916711 0.83 HRH3 (0.67) CHRNA7ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL3920077 0.83 CHRNA7 (0.67) CHRNA7ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4039036 0.82 CHRNA7 (0.66) CHRNA7ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL3926220 0.82 CHRNA7 (0.65) CHRNA7ALDH1A1MEN1KMT2ASMN1; SMN2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1463728-B1 FUSED CYCLIC MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL MYERS SQUIBB CO (US) 2009-01-14 EP claimed
EP-1436291-B1 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA SA (FR) 2009-01-14 EP disclosed
US-20070238734-A1 JNK INHIBITORS SANOLI-AVENTIS (FR) 2007-10-11 US disclosed
US-7148215-B2 Prodrugs as antihistamines or anticarcinogenic agents AVENTIS PHARMA S.A. (FR) 2006-12-12 US disclosed
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents AVENTIS PHARMA S.A, (FR) 2005-01-13 US disclosed
EP-1436291-A2 INDOLIZINES AS KINASE PROTEIN INHIBITORS Aventis Pharma S.A. (FR) 2004-07-14 EP disclosed
WO-2003024967-A2 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA S.A. (FR) 2003-03-27 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 (2 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-20070238734-A1 JNK INHIBITORS MAP3K7, MAPKAPK2, MAPK7 CHRNA7 4538/4885ALDH1A1 3369/4885MEN1 3865/4885
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents CNKSR1, ROS1, NRAS CHRNA7 2620/4885ALDH1A1 4117/4885MEN1 3716/4885

“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.