SCHEMBL3553410

SCHEMBL3553410

CCc1ccc2c(c1)C[C@@H]1C(OC(=O)C(F)(F)F)NCCN1C2=O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 13/20 0.51
HTR2C P28335 13/20 0.51
HTR2B P41595 13/20 0.51
KDM1A O60341 1/20 0.33
CYP3A4 P08684 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31
GABRA6 Q16445 1/20 0.31
GSPT1 P15170 1/20 0.30
CYP2C19 P33261 1/20 0.30
KCNH2 Q12809 1/20 0.30
DDB1 Q16531 1/20 0.30
CRBN Q96SW2 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
SCHEMBL3557290 0.93 HTR2C (0.52) HTR2AHTR2CHTR2B
SCHEMBL3563490 0.92 HTR2A (0.51) HTR2AHTR2CHTR2BKDM1ACYP3A4
SCHEMBL3559868 0.91 HTR2A (0.40) HTR2AHTR2CHTR2BGSPT1CYP2C19
SCHEMBL3556795 0.87 HTR2C (0.48) HTR2AHTR2CHTR2BKDM1A
SCHEMBL3553131 0.85 HTR2C (0.52) HTR2AHTR2CHTR2BKDM1A
SCHEMBL3561671 0.85 HTR2A (0.39) HTR2AHTR2CHTR2BKDM1AGABRA1
SCHEMBL3556783 0.85 HTR2A (0.53) HTR2AHTR2CHTR2B
SCHEMBL3557462 0.85 HTR2A (0.48) HTR2AHTR2CHTR2BKDM1AGSPT1
SCHEMBL3562924 0.85 HTR2A (0.37) HTR2AHTR2CHTR2B
SCHEMBL3558762 0.84 HTR2A (0.52) HTR2AHTR2CHTR2BKDM1ACYP3A4

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 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.