SCHEMBL3558413

SCHEMBL3558413

Cc1cccc2c1C[C@@H]1C(OC(=O)C(F)(F)F)NCCN1C2=O

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 14/20 0.48
HTR2B P41595 14/20 0.48
HTR2A P28223 11/20 0.48
ACHE P22303 1/20 0.34
PARP1 P09874 1/20 0.31
PARP10 Q53GL7 1/20 0.31
PARP11 Q9NR21 1/20 0.31
CDK5 Q00535 1/20 0.30
DYRK1A Q13627 1/20 0.30
CDK5R1 Q15078 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
SCHEMBL14110389 0.89 HTR2B (0.51) HTR2CHTR2BHTR2AACHECDK5
SCHEMBL3564664 0.89 HTR2B (0.51) HTR2CHTR2BHTR2AACHECDK5
SCHEMBL3559813 0.88 HTR2C (0.50) HTR2CHTR2BHTR2A
SCHEMBL3554428 0.88 HTR2C (0.39) HTR2CHTR2BHTR2APARP10PARP11
SCHEMBL3558747 0.88 HTR2C (0.53) HTR2CHTR2BHTR2A
SCHEMBL3553219 0.85 HTR2C (0.43) HTR2CHTR2BHTR2A
SCHEMBL3557891 0.84 HTR2C (0.48) HTR2CHTR2BHTR2APARP1
SCHEMBL3556795 0.80 HTR2C (0.48) HTR2CHTR2BHTR2APARP10PARP11
SCHEMBL3556629 0.80 HTR2C (0.48) HTR2CHTR2BHTR2AACHEPARP1
SCHEMBL3551773 0.79 HTR2C (0.53) HTR2CHTR2BHTR2AACHE

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-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 5/4885HTR2B 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.