SCHEMBL5108964

SCHEMBL5108964

C[C@H]1COCCN1c1nc2c(C(=O)O)cccc2o1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 16/20 0.65
KCNH2 Q12809 3/20 0.46
MTOR P42345 3/20 0.43
CYP2C19 P33261 1/20 0.41
ATR Q13535 1/20 0.40

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
SCHEMBL3984982 1.00 HTR3A (0.65) HTR3AKCNH2MTORCYP2C19ATR
SCHEMBL3984980 1.00 HTR3A (0.65) HTR3AKCNH2MTORCYP2C19ATR
SCHEMBL1003492 0.99 HTR3A (0.64) HTR3AKCNH2MTORCYP2C19ATR
Lithium Ion SCHEMBL1003491 0.90 HTR3A (0.64) HTR3AKCNH2CYP2C19
Lithium Ion SCHEMBL1004902 0.90 HTR3A (0.64) HTR3AKCNH2CYP2C19
SCHEMBL1004430 0.88 HTR3A (0.64) HTR3AKCNH2MTORATR
SCHEMBL1005008 0.88 HTR3A (0.64) HTR3AKCNH2MTORATR
SCHEMBL1004431 0.88 HTR3A (0.64) HTR3AKCNH2MTORATR
SCHEMBL1004971 0.87 HTR3A (0.66) HTR3AKCNH2MTORATR
SCHEMBL1006017 0.87 HTR3A (0.66) HTR3AKCNH2MTORATR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080255114-A1 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS AMR TECHNOLOGY, INC. (US) 2008-10-16 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-20080255114-A1 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS HTR3E, HTR3C, HTR3A HTR3A 3/4885KCNH2 1871/4885MTOR 1840/4885

“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.