SCHEMBL3552125

SCHEMBL3552125

CCN(CC)C(=O)c1ccc(O)cc1OC(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 8/20 0.48
HCRTR2 O43614 8/20 0.48
HSP90AB1 P08238 5/20 0.43
HSP90AA1 P07900 4/20 0.43
MLYCD O95822 1/20 0.41
CYP1A2 P05177 1/20 0.40
BLM P54132 1/20 0.40
PDE4B Q07343 1/20 0.39
KDM4E B2RXH2 2/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL3558708 0.84 HCRTR1 (0.47) HCRTR1HCRTR2HSP90AB1HSP90AA1MLYCD
SCHEMBL3553495 0.84 HCRTR1 (0.47) HCRTR1HCRTR2HSP90AB1HSP90AA1MLYCD
SCHEMBL3560278 0.81 HCRTR1 (0.45) HCRTR1HCRTR2HSP90AB1HSP90AA1MLYCD
SCHEMBL24436793 0.81 HSP90AB1 (0.56) HSP90AB1CA12CA1CA2CA7
SCHEMBL3550257 0.81 HCRTR1 (0.63) HCRTR1HCRTR2
SCHEMBL24436712 0.79 ALDH1A1 (0.42) KDM4ECA12CA1CA2CA7
SCHEMBL21487102 0.78 CA12 (0.60) CA12CA1CA2CA7CA9
SCHEMBL3559186 0.77 HCRTR1 (0.44) HCRTR1HCRTR2HSP90AB1HSP90AA1MLYCD
SCHEMBL27051473 0.77 ESR1 (0.53) KDM4ECA12CA1CA2CA7
SCHEMBL21842996 0.76 CA12 (0.57) KDM4ECA12CA1CA2CA7

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 42/4885HSP90AB1 3778/4885
US-20050080074-A1 Modulators of serotonin receptors HTR5A, HTR1A, HTR2B HCRTR1 34/4885HCRTR2 42/4885HSP90AB1 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.