SCHEMBL3558708

SCHEMBL3558708

CCc1ccc(C(=O)N(CC)CC)c(OC(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 8/20 0.47
HCRTR2 O43614 8/20 0.47
MLYCD O95822 1/20 0.40
HSP90AA1 P07900 2/20 0.40
HSP90AB1 P08238 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PDE4B Q07343 1/20 0.38
CNR2 P34972 1/20 0.38
KDM4E B2RXH2 2/20 0.38
TSHR P16473 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL3552125 0.84 HCRTR1 (0.48) HCRTR1HCRTR2MLYCDHSP90AA1HSP90AB1
SCHEMBL3553495 0.83 HCRTR1 (0.47) HCRTR1HCRTR2MLYCDHSP90AA1HSP90AB1
SCHEMBL3555397 0.82 KMT2A (0.54) HSP90AA1HSP90AB1MEN1KMT2AKDM4E
SCHEMBL3560278 0.80 HCRTR1 (0.45) HCRTR1HCRTR2MLYCDHSP90AA1HSP90AB1
SCHEMBL3550257 0.80 HCRTR1 (0.63) HCRTR1HCRTR2TSHR
SCHEMBL4465339 0.78 MLYCD (0.43) MLYCDHSP90AA1HSP90AB1PDE4BTSHR
SCHEMBL3559186 0.76 HCRTR1 (0.44) HCRTR1HCRTR2MLYCDHSP90AA1HSP90AB1
SCHEMBL4469757 0.76 HSP90AA1 (0.45) MLYCDHSP90AA1HSP90AB1KDM4ETSHR
SCHEMBL23773234 0.74 SIGMAR1 (0.38) CNR2TSHRSIGMAR1ALDH1A1
SCHEMBL3555893 0.73 CYP3A4 (0.49) HSP90AA1HSP90AB1MEN1KMT2ATSHR

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 HCRTR1 33/4885HCRTR2 42/4885MLYCD 1202/4885
US-20050080074-A1 Modulators of serotonin receptors HTR5A, HTR1A, HTR2B HCRTR1 34/4885HCRTR2 42/4885MLYCD 1234/4885

“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.