SCHEMBL4472193

SCHEMBL4472193

O=C(O)N1CC2c3cccc(C(F)(F)F)c3C(=O)N(c3ccccc3)C2C1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 17/20 0.45
HTR2B P41595 17/20 0.45
HTR2A P28223 14/20 0.45
RBP4 P02753 3/20 0.39

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
SCHEMBL4478844 0.87 RORC (0.47) HTR2CHTR2BHTR2A
SCHEMBL4478842 0.87 RORC (0.47) HTR2CHTR2BHTR2A
SCHEMBL4465118 0.84 HTR2C (0.61) HTR2CHTR2BHTR2A
SCHEMBL13763100 0.84 HTR2C (0.46) HTR2CHTR2BHTR2A
SCHEMBL4483518 0.82 HTR2C (0.47) HTR2CHTR2BHTR2ARBP4
SCHEMBL4465357 0.81 HTR2C (0.47) HTR2CHTR2BHTR2ARBP4
SCHEMBL13756852 0.78 HTR2C (0.69) HTR2CHTR2BHTR2A
SCHEMBL4467438 0.78 HTR2C (0.69) HTR2CHTR2BHTR2A
SCHEMBL4467431 0.78 HTR2C (0.69) HTR2CHTR2BHTR2A
SCHEMBL4467242 0.78 HTR2C (0.43) HTR2CHTR2BHTR2ARBP4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572805-B2 Pyrrolo(oxo)isoquinolines as 5HT ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-11 US disclosed
US-20060014777-A1 Pyrrolo(oxo)isoquinolines as 5HT ligands BRISTOL-MYERS SQUIBB COMPANY 2006-01-19 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 (1 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-20060014777-A1 Pyrrolo(oxo)isoquinolines as 5HT ligands HTR2B, OPRD1, HTR1B HTR2C 17/4885HTR2B 1/4885HTR2A 31/4885

“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.