SCHEMBL3561606

SCHEMBL3561606

O=C1c2c(cc(Nc3ccc(OC(F)(F)F)cc3)cc2C(F)(F)F)[C@@H]2C(OC(=O)C(F)(F)F)NCCN12

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 14/20 0.43
HTR2A P28223 13/20 0.43
HTR2B P41595 12/20 0.43
EPHX2 P34913 3/20 0.35
CYP3A4 P08684 1/20 0.34
ABL1 P00519 1/20 0.34
BCR P11274 1/20 0.34
EPHX1 P07099 2/20 0.33

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
SCHEMBL3552381 0.90 HTR2C (0.48) HTR2CHTR2AHTR2BCYP3A4
SCHEMBL3557538 0.84 HTR2A (0.42) HTR2CHTR2AHTR2B
SCHEMBL3559146 0.83 HTR2C (0.42) HTR2CHTR2AHTR2BCYP3A4
SCHEMBL3563764 0.81 HTR2C (0.45) HTR2CHTR2AHTR2BCYP3A4
SCHEMBL3559284 0.81 HTR2C (0.41) HTR2CHTR2AHTR2B
SCHEMBL3563174 0.79 HTR2A (0.56) HTR2CHTR2AHTR2BCYP3A4
SCHEMBL3552909 0.78 HTR2C (0.50) HTR2CHTR2AHTR2BCYP3A4
Trifluoroacetic Acid SCHEMBL3561604 0.78 HTR2C (0.55) HTR2CHTR2AHTR2BCYP3A4
SCHEMBL13118862 0.77 HTR2C (0.61) HTR2CHTR2AHTR2BCYP3A4
SCHEMBL3556083 0.77 HTR2C (0.46) HTR2CHTR2AHTR2BCYP3A4

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 HTR2C 5/4885HTR2A 3/4885HTR2B 4/4885
US-20050080074-A1 Modulators of serotonin receptors HTR5A, HTR1A, HTR2B HTR2C 6/4885HTR2A 4/4885HTR2B 3/4885

“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.