SCHEMBL3554428

SCHEMBL3554428

O=C1c2cccc(Br)c2C[C@@H]2C(OC(=O)C(F)(F)F)NCCN12

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 11/20 0.39
HTR2B P41595 11/20 0.39
HTR2A P28223 9/20 0.35
PARP10 Q53GL7 1/20 0.31
PARP11 Q9NR21 1/20 0.31
ABHD6 Q9BV23 2/20 0.30

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
SCHEMBL3558747 0.88 HTR2C (0.53) HTR2CHTR2BHTR2A
SCHEMBL3558413 0.88 HTR2C (0.48) HTR2CHTR2BHTR2APARP10PARP11
SCHEMBL14110389 0.87 HTR2B (0.51) HTR2CHTR2BHTR2A
SCHEMBL3564664 0.87 HTR2B (0.51) HTR2CHTR2BHTR2A
SCHEMBL3559813 0.86 HTR2C (0.50) HTR2CHTR2BHTR2A
SCHEMBL3558812 0.84 HTR2C (0.39) HTR2CHTR2BHTR2AABHD6
SCHEMBL3553219 0.84 HTR2C (0.43) HTR2CHTR2BHTR2A
SCHEMBL3551438 0.80 HTR2A (0.39) HTR2CHTR2BHTR2APARP10ABHD6
SCHEMBL3561671 0.80 HTR2A (0.39) HTR2CHTR2BHTR2APARP10PARP11
SCHEMBL3558878 0.79 HTR2C (0.40) HTR2CHTR2BHTR2A

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 claimed
US-20050080074-A1 Modulators of serotonin receptors BRISTOL-MYERS SQUIBB COMPANY 2005-04-14 US claimed
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
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 HTR2C 5/4885HTR2B 4/4885HTR2A 3/4885
US-20050080074-A1 Modulators of serotonin receptors HTR5A, HTR1A, HTR2B HTR2C 6/4885HTR2B 3/4885HTR2A 4/4885

“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.