SCHEMBL4471627

SCHEMBL4471627

CNC(=O)CN1C(=O)c2c(cccc2C(F)(F)F)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 10/20 0.40
HTR2B P41595 10/20 0.40
HTR2A P28223 7/20 0.40
P2RX7 Q99572 2/20 0.38
TACR1 P25103 2/20 0.38
RORC P51449 1/20 0.38
CACNA1S Q13698 1/20 0.37
LIPE Q05469 1/20 0.37
KCNH2 Q12809 1/20 0.36
SCN5A Q14524 1/20 0.36
SCN9A Q15858 1/20 0.36
NAMPT P43490 1/20 0.35
USP30 Q70CQ3 1/20 0.35

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
SCHEMBL31330263 1.00 HTR2C (0.40) HTR2CHTR2BHTR2AP2RX7TACR1
SCHEMBL4471624 1.00 HTR2C (0.40) HTR2CHTR2BHTR2AP2RX7TACR1
SCHEMBL4467750 0.90 HTR2C (0.40) HTR2CHTR2BHTR2AP2RX7TACR1
SCHEMBL4467749 0.90 HTR2C (0.40) HTR2CHTR2BHTR2AP2RX7TACR1
SCHEMBL4465382 0.90 RORC (0.42) HTR2CHTR2BHTR2AP2RX7TACR1
SCHEMBL4467242 0.89 HTR2C (0.43) HTR2CHTR2BHTR2AP2RX7CACNA1S
SCHEMBL4478197 0.88 HTR2C (0.43) HTR2CHTR2BHTR2AP2RX7TACR1
SCHEMBL4478192 0.88 HTR2C (0.43) HTR2CHTR2BHTR2AP2RX7TACR1
SCHEMBL4467969 0.86 HTR2C (0.44) HTR2CHTR2BHTR2AP2RX7TACR1
SCHEMBL4467971 0.86 HTR2C (0.44) HTR2CHTR2BHTR2AP2RX7TACR1

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.