SCHEMBL3554511

SCHEMBL3554511

O=C1OC(O)c2cccc(C(F)(F)F)c21

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 18/20 0.41
HTR2B P41595 18/20 0.41
HTR2A P28223 14/20 0.41
PDK2 Q15119 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL3756810 0.77 CA1 (0.38) HTR2CHTR2BPDK2
SCHEMBL26123978 0.76 KDM1A (0.33)
SCHEMBL3558818 0.76 HTR2A (0.43) HTR2CHTR2BHTR2AALDH1A1
SCHEMBL9140835 0.74 CES2 (0.50) ALDH1A1
SCHEMBL23707669 0.74 CES2 (0.50) ALDH1A1
SCHEMBL5426438 0.73 PBRM1 (0.39) HTR2CHTR2BHTR2AALDH1A1
SCHEMBL22276494 0.73 CA1 (0.38) HTR2CHTR2BPDK2ALDH1A1
SCHEMBL23963013 0.73 ADORA2A (0.37) PDK2ALDH1A1
SCHEMBL18826578 0.73 CA1 (0.38) HTR2CHTR2BHTR2A
SCHEMBL4469926 0.72 HTR2A (0.46) HTR2CHTR2BHTR2APDK2

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 8 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-7572805-B2 Pyrrolo(oxo)isoquinolines as 5HT ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-11 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 5/4885HTR2B 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.