SCHEMBL3553131

SCHEMBL3553131

COc1ccc2c(c1)C[C@@H]1C(OC(=O)C(F)(F)F)NCCN1C2=O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 11/20 0.52
HTR2A P28223 10/20 0.52
HTR2B P41595 8/20 0.52
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.40
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
DRD2 P14416 2/20 0.37
METAP1 P53582 2/20 0.34
KDM1A O60341 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
ABHD6 Q9BV23 1/20 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
SCHEMBL3554181 0.92 HTR2A (0.52) HTR2CHTR2AHTR2BLMNAGAA
SCHEMBL3556795 0.88 HTR2C (0.48) HTR2CHTR2AHTR2BKDM1A
SCHEMBL3561671 0.86 HTR2A (0.39) HTR2CHTR2AHTR2BKDM1AABHD6
SCHEMBL3556783 0.86 HTR2A (0.53) HTR2CHTR2AHTR2B
SCHEMBL3557462 0.86 HTR2A (0.48) HTR2CHTR2AHTR2BDRD2KDM1A
SCHEMBL3553410 0.85 HTR2A (0.51) HTR2CHTR2AHTR2BKDM1A
SCHEMBL3562924 0.85 HTR2A (0.37) HTR2CHTR2AHTR2BLMNAALDH1A1
SCHEMBL3560265 0.84 HTR2A (0.50) HTR2CHTR2AHTR2BDRD2SMN1; SMN2
SCHEMBL3559868 0.84 HTR2A (0.40) HTR2CHTR2AHTR2B
SCHEMBL3557290 0.84 HTR2C (0.52) 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 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 5/4885HTR2A 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.