SCHEMBL3554181

SCHEMBL3554181

COc1ccc2c(c1)C(=O)N1CCNC(OC(=O)C(F)(F)F)[C@H]1C2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.52
HTR2C P28335 5/20 0.52
HTR2B P41595 5/20 0.52
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
ACHE P22303 1/20 0.38
BIRC2 Q13490 1/20 0.36
LMNA P02545 2/20 0.36
GAA P10253 2/20 0.36
CHEK1 O14757 3/20 0.36
ABHD6 Q9BV23 1/20 0.35
NQO2 P16083 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
NFE2L2 Q16236 1/20 0.34
MAPK1 P28482 2/20 0.34
JAK2 O60674 1/20 0.34
ROCK2 O75116 1/20 0.34
IGF1R P08069 1/20 0.34
AKT1 P31749 1/20 0.34

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
SCHEMBL3553131 0.92 HTR2C (0.52) HTR2AHTR2CHTR2BESR1ESR2
SCHEMBL3556629 0.88 HTR2C (0.48) HTR2AHTR2CHTR2BACHEBIRC2
SCHEMBL3556569 0.87 HTR2C (0.40) HTR2AHTR2CHTR2BACHECHEK1
SCHEMBL3551438 0.86 HTR2A (0.39) HTR2AHTR2CHTR2BESR1ESR2
SCHEMBL3555858 0.86 HTR2A (0.53) HTR2AHTR2CHTR2BBIRC2KMT2A
SCHEMBL3561971 0.86 HTR2A (0.48) HTR2AHTR2CHTR2BBIRC2
SCHEMBL3563490 0.85 HTR2A (0.51) HTR2AHTR2CHTR2BBIRC2CYP3A4
SCHEMBL3559405 0.84 HTR2A (0.50) HTR2AHTR2CHTR2BKDM4EALDH1A1
SCHEMBL3556795 0.82 HTR2C (0.48) HTR2AHTR2CHTR2BKDM1A
SCHEMBL3557257 0.82 HTR2A (0.34) 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 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.