SCHEMBL4467431

SCHEMBL4467431

O=C1c2c(cccc2C(F)(F)F)[C@H]2CNC[C@H]2N1c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 20/20 0.69
HTR2B P41595 20/20 0.69
HTR2A P28223 16/20 0.69

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
SCHEMBL4467438 1.00 HTR2C (0.69) HTR2CHTR2BHTR2A
SCHEMBL13756852 1.00 HTR2C (0.69) HTR2CHTR2BHTR2A
SCHEMBL13756858 0.81 HTR2C (1.00) HTR2CHTR2BHTR2A
SCHEMBL4480487 0.81 HTR2C (1.00) HTR2CHTR2BHTR2A
SCHEMBL13756856 0.81 HTR2C (1.00) HTR2CHTR2BHTR2A
SCHEMBL13756845 0.81 HTR2C (1.00) HTR2CHTR2BHTR2A
SCHEMBL4480493 0.81 HTR2C (1.00) HTR2CHTR2BHTR2A
Hydrochloric Acid SCHEMBL4470107 0.81 HTR2C (1.00) HTR2CHTR2BHTR2A
Hydrochloric Acid SCHEMBL4469110 0.81 HTR2C (1.00) HTR2CHTR2BHTR2A
Hydrochloric Acid SCHEMBL4485525 0.81 HTR2C (1.00) HTR2CHTR2BHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060014777-A1 Pyrrolo(oxo)isoquinolines as 5HT ligands BRISTOL-MYERS SQUIBB COMPANY 2006-01-19 US claimed
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.