SCHEMBL3558642

SCHEMBL3558642

C=Cc1ccc(C(=O)N(CC)CC)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.46
HSP90AA1 P07900 4/20 0.44
HSP90AB1 P08238 3/20 0.44
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HPGD P15428 5/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TSHR P16473 2/20 0.38
SLC6A3 Q01959 1/20 0.37
GCGR P47871 1/20 0.37
TP53 P04637 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL4484759 0.84 CYP3A4 (0.44) CYP3A4HSP90AA1HSP90AB1ALDH1A1MAPT
SCHEMBL4484764 0.84 CYP3A4 (0.44) CYP3A4HSP90AA1HSP90AB1ALDH1A1MAPT
SCHEMBL3558647 0.79 TRPA1 (0.50) HSP90AA1HSP90AB1ALDH1A1NPC1RAB9A
SCHEMBL471670 0.78 HPGD (0.51) CYP3A4HSP90AA1HSP90AB1ALDH1A1MAPT
SCHEMBL18075413 0.77 HPGD (0.40) ALDH1A1MAPTHPGDTSHRTP53
SCHEMBL3552169 0.76 USP2 (0.52) CYP3A4HSP90AA1HSP90AB1ALDH1A1MAPT
SCHEMBL16305344 0.76 CHRM2 (0.56) CYP3A4HSP90AA1HSP90AB1ALDH1A1MAPT
SCHEMBL3555893 0.76 CYP3A4 (0.49) CYP3A4HSP90AA1HSP90AB1ALDH1A1MAPT
SCHEMBL10003520 0.76 MCL1 (0.54) ALDH1A1HPGDHSD17B10TSHRMAPK1
SCHEMBL3560278 0.75 HCRTR1 (0.45) HSP90AA1HSP90AB1

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-1675859-B1 MODULATORS OF SEROTONIN RECEPTORS BRISTOL MYERS SQUIBB CO (US) 2012-12-05 EP disclosed
US-7812024-B2 Modulators of serotonin receptors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-12 US disclosed
US-20070213337-A1 MODULATORS OF SEROTONIN RECEPTORS BRISTOL-MYERS SQUIBB COMPANY 2007-09-13 US disclosed
US-7244843-B2 Modulators of serotonin receptors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-17 US disclosed
EP-1675859-A1 MODULATORS OF SEROTONIN RECEPTORS Bristol-Myers Squibb Company (US) 2006-07-05 EP disclosed
WO-2005035533-A1 MODULATORS OF SEROTONIN RECEPTORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-21 WO disclosed
US-20050080074-A1 Modulators of serotonin receptors BRISTOL-MYERS SQUIBB COMPANY 2005-04-14 US 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-20070213337-A1 MODULATORS OF SEROTONIN RECEPTORS HTR5A, HTR1A, HTR2A CYP3A4 1105/4885HSP90AA1 3657/4885HSP90AB1 3778/4885
US-20050080074-A1 Modulators of serotonin receptors HTR5A, HTR1A, HTR2B CYP3A4 1117/4885HSP90AA1 3330/4885HSP90AB1 3397/4885

“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.