SCHEMBL3556569

SCHEMBL3556569

O=C1c2cc(F)ccc2C[C@@H]2C(OC(=O)C(F)(F)F)NCCN12

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 11/20 0.40
HTR2A P28223 10/20 0.40
HTR2B P41595 10/20 0.40
ACHE P22303 1/20 0.34
XIAP P98170 1/20 0.33
PGR P06401 1/20 0.32
PARP1 P09874 1/20 0.32
PARP10 Q53GL7 1/20 0.32
SLC9A3 P48764 1/20 0.31
KMT2A Q03164 1/20 0.31
CHEK1 O14757 1/20 0.31

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
SCHEMBL3551438 0.89 HTR2A (0.39) HTR2CHTR2AHTR2BXIAPPARP1
SCHEMBL3561971 0.89 HTR2A (0.48) HTR2CHTR2AHTR2BXIAPPARP1
SCHEMBL3556629 0.89 HTR2C (0.48) HTR2CHTR2AHTR2BACHEXIAP
SCHEMBL3555858 0.89 HTR2A (0.53) HTR2CHTR2AHTR2BXIAPPARP1
SCHEMBL3554181 0.87 HTR2A (0.52) HTR2CHTR2AHTR2BACHEKMT2A
SCHEMBL3559405 0.87 HTR2A (0.50) HTR2CHTR2AHTR2B
SCHEMBL3563490 0.86 HTR2A (0.51) HTR2CHTR2AHTR2BXIAP
SCHEMBL3557257 0.84 HTR2A (0.34) HTR2CHTR2AHTR2B
SCHEMBL3556795 0.82 HTR2C (0.48) HTR2CHTR2AHTR2BPARP10
SCHEMBL3561671 0.82 HTR2A (0.39) HTR2CHTR2AHTR2BPARP10

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.