SCHEMBL4484910

SCHEMBL4484910

COCCN1C(=O)c2c(cccc2C(F)(F)F)C2CN(C(=O)O)CC21

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 14/20 0.46
HTR2B P41595 14/20 0.46
HTR2A P28223 10/20 0.46
P2RX7 Q99572 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C9 P11712 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL4477560 0.90 HTR2C (0.42) HTR2CHTR2BHTR2AP2RX7KDM4E
SCHEMBL4477564 0.90 HTR2C (0.42) HTR2CHTR2BHTR2AP2RX7KDM4E
SCHEMBL4465357 0.88 HTR2C (0.47) HTR2CHTR2BHTR2A
SCHEMBL4483518 0.86 HTR2C (0.47) HTR2CHTR2BHTR2AP2RX7
SCHEMBL4482435 0.86 HTR2C (0.43) HTR2CHTR2BHTR2AP2RX7
SCHEMBL13763031 0.86 HTR2C (0.47) HTR2CHTR2BHTR2AP2RX7KDM4E
SCHEMBL4465118 0.84 HTR2C (0.61) HTR2CHTR2BHTR2A
SCHEMBL4467242 0.82 HTR2C (0.43) HTR2CHTR2BHTR2AP2RX7
SCHEMBL13756862 0.81 HTR2C (0.69) HTR2CHTR2BHTR2A
SCHEMBL4467969 0.80 HTR2C (0.44) HTR2CHTR2BHTR2AP2RX7KDM4E

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.