SCHEMBL4472443

SCHEMBL4472443

CC(C)(C)OC(=O)N1C[C@@H]2c3cccc(C(F)(F)F)c3C(=O)N[C@@H]2C1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 12/20 0.53
HTR2B P41595 12/20 0.53
HTR2A P28223 10/20 0.53
RORC P51449 1/20 0.43
KDM4E B2RXH2 1/20 0.40
LIPE Q05469 2/20 0.39
TACR1 P25103 2/20 0.38
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
USP30 Q70CQ3 1/20 0.37

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
SCHEMBL5574101 1.00 HTR2C (0.53) HTR2CHTR2BHTR2ARORCKDM4E
SCHEMBL4465494 1.00 HTR2C (0.53) HTR2CHTR2BHTR2ARORCKDM4E
SCHEMBL4472830 1.00 HTR2C (0.53) HTR2CHTR2BHTR2ARORCKDM4E
SCHEMBL4466443 1.00 HTR2C (0.53) HTR2CHTR2BHTR2ARORCKDM4E
SCHEMBL4465496 1.00 HTR2C (0.53) HTR2CHTR2BHTR2ARORCKDM4E
SCHEMBL4473399 0.86 HTR2A (0.50) HTR2CHTR2BHTR2ARORCKDM4E
SCHEMBL4473401 0.86 HTR2A (0.50) HTR2CHTR2BHTR2ARORCKDM4E
SCHEMBL4475150 0.86 HTR2A (0.50) HTR2CHTR2BHTR2ARORCKDM4E
SCHEMBL4468054 0.85 HTR2A (0.49) HTR2CHTR2BHTR2ARORCKDM4E
SCHEMBL4483866 0.85 HTR2A (0.49) HTR2CHTR2BHTR2ARORCKDM4E

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.