SCHEMBL4469926

SCHEMBL4469926

CCc1cc2c(c(C(F)(F)F)c1)C(=O)OC2O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 8/20 0.46
HTR2C P28335 8/20 0.46
HTR2B P41595 8/20 0.46
CYP3A4 P08684 1/20 0.44
PTGS1 P23219 2/20 0.32
PTGS2 P35354 2/20 0.32
PDK2 Q15119 1/20 0.31
HSD17B1 P14061 1/20 0.31
HSD17B2 P37059 1/20 0.31
HSD17B4 P51659 1/20 0.31
SIGMAR1 Q99720 2/20 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
SCHEMBL26123978 0.78 KDM1A (0.33)
SCHEMBL3554511 0.72 HTR2C (0.41) HTR2AHTR2CHTR2BPDK2
SCHEMBL26124463 0.69 PDK2 (0.37) HTR2AHTR2CHTR2BPDK2
SCHEMBL5156710 0.67 GABBR2 (0.41) CYP3A4
SCHEMBL17876987 0.65 SMN1; SMN2 (0.46) PDK2
SCHEMBL13756894 0.63 HTR2A (1.00) HTR2AHTR2CHTR2BCYP3A4
SCHEMBL13756892 0.63 HTR2A (1.00) HTR2AHTR2CHTR2BCYP3A4
SCHEMBL9862041 0.63 HSPA5 (0.58) HTR2AHTR2CHTR2BCYP3A4SIGMAR1
SCHEMBL1725134 0.63 GABBR2 (0.35)
SCHEMBL5251032 0.63 HSPA5 (0.38) HTR2AHTR2CHTR2BCYP3A4PTGS2

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 HTR2A 31/4885HTR2C 17/4885HTR2B 1/4885

“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.