SCHEMBL3557538

SCHEMBL3557538

COc1ccc(Nc2cc3c(c(C(F)(F)F)c2)C(=O)N2CCNC(OC(=O)C(F)(F)F)[C@@H]32)c(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 9/20 0.42
HTR2C P28335 9/20 0.42
HTR2B P41595 8/20 0.42
CNR2 P34972 2/20 0.39
CNR1 P21554 1/20 0.39
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
EGFR P00533 2/20 0.35
DHODH Q02127 2/20 0.34
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 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
SCHEMBL3563764 0.91 HTR2C (0.45) HTR2AHTR2CHTR2BLMNATP53
SCHEMBL3559146 0.85 HTR2C (0.42) HTR2AHTR2CHTR2BCNR2CNR1
SCHEMBL3561606 0.84 HTR2C (0.43) HTR2AHTR2CHTR2B
SCHEMBL3559284 0.82 HTR2C (0.41) HTR2AHTR2CHTR2BLMNAALDH1A1
Trifluoroacetic Acid SCHEMBL3557536 0.79 HTR2C (0.61) HTR2AHTR2CHTR2B
SCHEMBL13118842 0.79 HTR2C (0.68) HTR2AHTR2CHTR2B
SCHEMBL3555431 0.78 HTR2C (0.51) HTR2AHTR2CHTR2BKDM4E
SCHEMBL3563174 0.76 HTR2A (0.56) HTR2AHTR2CHTR2B
SCHEMBL3552909 0.76 HTR2C (0.50) HTR2AHTR2CHTR2B
SCHEMBL3556083 0.74 HTR2C (0.46) HTR2AHTR2CHTR2B

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