SCHEMBL1004576

SCHEMBL1004576

C=CCN1CC(C)N(c2nc3c(C(=O)O)cccc3o2)CC1C

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 4/20 0.39
HTR3A P46098 11/20 0.39
CYP2C19 P33261 3/20 0.37
KDM4E B2RXH2 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
HPGD P15428 2/20 0.37
KCNH2 Q12809 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
SCHEMBL1004616 1.00 OPRD1 (0.39) OPRD1HTR3ACYP2C19KDM4ECYP1A2
SCHEMBL1004578 1.00 OPRD1 (0.39) OPRD1HTR3ACYP2C19KDM4ECYP1A2
SCHEMBL1007536 0.90 OPRD1 (0.43) OPRD1HTR3A
SCHEMBL1007535 0.90 OPRD1 (0.43) OPRD1HTR3A
SCHEMBL1007691 0.90 OPRD1 (0.43) OPRD1HTR3A
SCHEMBL1006137 0.81 HTR3A (0.66) HTR3ACYP2C19KCNH2
Hydrochloric Acid SCHEMBL1005871 0.80 HTR3A (0.65) HTR3ACYP2C19KCNH2
SCHEMBL3987869 0.77 NAAA (0.39) HTR3AKCNH2
SCHEMBL1005698 0.76 HTR3A (0.47) HTR3AKCNH2
SCHEMBL1005699 0.76 HTR3A (0.47) HTR3AKCNH2

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-7863271-B2 2-aminobenzoxazole carboxamides as 5HT3 modulators ALBANY MOLECULAR RESEARCH, INC. (US) 2011-01-04 US disclosed
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 OPRD1 109/4885HTR3A 3/4885CYP2C19 169/4885

“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.