SCHEMBL13119009

SCHEMBL13119009

O=C1c2c(cc(O)cc2C(F)(F)F)[C@@H]2CNCCN12

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 20/20 0.76
HTR2A P28223 18/20 0.76
HTR2B P41595 18/20 0.74
CYP3A4 P08684 1/20 0.69

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
SCHEMBL14110385 1.00 HTR2C (0.76) HTR2CHTR2AHTR2BCYP3A4
Hydrochloric Acid SCHEMBL3558623 0.99 HTR2C (0.74) HTR2CHTR2AHTR2BCYP3A4
SCHEMBL13119130 0.86 HTR2C (1.00) HTR2CHTR2AHTR2BCYP3A4
SCHEMBL13119125 0.86 HTR2C (1.00) HTR2CHTR2AHTR2BCYP3A4
SCHEMBL13119134 0.86 HTR2C (0.77) HTR2CHTR2AHTR2BCYP3A4
SCHEMBL13119132 0.86 HTR2C (0.77) HTR2CHTR2AHTR2BCYP3A4
SCHEMBL14149353 0.85 HTR2C (0.76) HTR2CHTR2AHTR2BCYP3A4
SCHEMBL13118806 0.85 HTR2C (0.76) HTR2CHTR2AHTR2BCYP3A4
SCHEMBL14110351 0.85 HTR2C (0.76) HTR2CHTR2AHTR2BCYP3A4
Hydrochloric Acid SCHEMBL3550301 0.85 HTR2C (0.97) 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 claimed
US-7812024-B2 Modulators of serotonin receptors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-12 US 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-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-7244843-B2 Modulators of serotonin receptors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-17 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 (1 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

“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.