SCHEMBL3551773

SCHEMBL3551773

COc1ccc(C)c2c1C[C@@H]1C(OC(=O)C(F)(F)F)NCCN1C2=O

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 11/20 0.53
HTR2A P28223 10/20 0.53
HTR2B P41595 10/20 0.53
KDM4E B2RXH2 1/20 0.32
ACHE P22303 1/20 0.32
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
POLL Q9UGP5 1/20 0.31
MAPT P10636 1/20 0.30
CRHBP P24387 1/20 0.30
CRHR2 Q13324 1/20 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
SCHEMBL3558878 0.90 HTR2C (0.40) HTR2CHTR2AHTR2BKDM4EACHE
SCHEMBL14110389 0.84 HTR2B (0.51) HTR2CHTR2AHTR2BKDM4EACHE
SCHEMBL3564664 0.84 HTR2B (0.51) HTR2CHTR2AHTR2BKDM4EACHE
SCHEMBL3557042 0.82 HTR2C (0.52) HTR2CHTR2AHTR2B
SCHEMBL3557891 0.81 HTR2C (0.48) HTR2CHTR2AHTR2B
SCHEMBL3558413 0.79 HTR2C (0.48) HTR2CHTR2AHTR2BACHE
Trifluoroacetic Acid SCHEMBL3551771 0.74 HTR2C (0.82) HTR2CHTR2AHTR2B
SCHEMBL3558762 0.74 HTR2A (0.52) HTR2CHTR2AHTR2B
SCHEMBL3555431 0.74 HTR2C (0.51) HTR2CHTR2AHTR2BKDM4EPOLL
SCHEMBL3555177 0.74 HTR2C (0.50) HTR2CHTR2AHTR2B

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 5/4885HTR2A 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.