SCHEMBL3555893

SCHEMBL3555893

CCc1ccc(C(=O)N(CC)CC)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.49
HSP90AA1 P07900 5/20 0.47
HSP90AB1 P08238 4/20 0.47
MAPT P10636 3/20 0.47
TP53 P04637 2/20 0.47
ALDH1A1 P00352 3/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
POLB P06746 1/20 0.40

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
SCHEMBL4462445 0.87 CYP3A4 (0.50) CYP3A4HSP90AA1HSP90AB1MAPTTP53
SCHEMBL4474687 0.87 CYP4F2 (0.48) HSP90AA1HSP90AB1MAPTTP53ALDH1A1
SCHEMBL4475971 0.85 ALDH1A1 (0.47) CYP3A4HSP90AA1MAPTTP53ALDH1A1
SCHEMBL471670 0.81 HPGD (0.51) CYP3A4HSP90AA1HSP90AB1MAPTTP53
SCHEMBL3552169 0.80 USP2 (0.52) CYP3A4HSP90AA1HSP90AB1MAPTTP53
SCHEMBL16305344 0.80 CHRM2 (0.56) CYP3A4HSP90AA1HSP90AB1MAPTTP53
SCHEMBL4469757 0.80 HSP90AA1 (0.45) HSP90AA1HSP90AB1ALDH1A1HPGDTSHR
SCHEMBL8875590 0.79 MAPT (0.43) CYP3A4MAPTALDH1A1NPC1RAB9A
SCHEMBL11984397 0.79 SMN1; SMN2 (0.57) MAPTTP53ALDH1A1NPC1RAB9A
SCHEMBL18075547 0.79 SMN1; SMN2 (0.43) CYP3A4MAPTALDH1A1NPC1RAB9A

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.