SCHEMBL4311645

SCHEMBL4311645

Cc1ccc2oc(C3CCCCN3C)nc2c1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.38
USP30 Q70CQ3 1/20 0.38
CHRM2 P08172 3/20 0.36
CHRM4 P08173 3/20 0.36
CHRM5 P08912 3/20 0.36
CHRM1 P11229 3/20 0.36
CHRM3 P20309 3/20 0.36
CHRNB2 P17787 4/20 0.36
CHRNA4 P43681 4/20 0.36
HTR3A P46098 1/20 0.35
KCNH2 Q12809 1/20 0.35
CDC7 O00311 1/20 0.35
PIM1 P11309 1/20 0.35
CSNK2B P67870 1/20 0.35
CSNK2A1 P68400 1/20 0.35
PARP2 Q9UGN5 1/20 0.34
CHRNA7 P36544 1/20 0.34

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
SCHEMBL4318157 0.81 HTR3A (0.48) PARP1USP30CHRNB2CHRNA4HTR3A
SCHEMBL4311643 0.73 HTR3A (0.48) PARP1USP30HTR3AKCNH2PARP2
SCHEMBL3984732 0.69 ELANE (0.52)
SCHEMBL4317096 0.68 HTR3A (0.78) HTR3AKCNH2
SCHEMBL27755479 0.68 ALDH1A1 (0.34)
Hydrochloric Acid SCHEMBL4308401 0.67 HTR3A (0.76) HTR3AKCNH2
SCHEMBL1005780 0.65 HTR3A (0.49) HTR3A
SCHEMBL1006741 0.65 HTR3A (0.49) HTR3A
SCHEMBL3984179 0.64 HTR3A (0.35) CHRM4CHRM5CHRM1CHRM3HTR3A
SCHEMBL1004322 0.64 HTR3A (0.51) HTR3AKCNH2PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8278301-B2 2-alkylbenzoxazole carboxamides as 5HT3 modulators ALBANY MOLECULAR RESEARCH, INC. (US) 2012-10-02 US disclosed
US-20090227576-A1 2-ALKYLBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS ALBANY MOLECULAR RESEARCH, INC. (US) 2009-09-10 US disclosed
US-7553846-B2 2-alkylbenzoxazole carboxamides as 5-HT3 modulators ALBANY MOLECULAR RESEARCH, INC. (US) 2009-06-30 US disclosed
US-20080214601-A1 2-ALKYLBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS AMR TECHNOLOGY, INC. (US) 2008-09-04 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 (2 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-20090227576-A1 2-ALKYLBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS HTR3E, HTR3C, HTR3A PARP1 1175/4885USP30 4078/4885CHRM2 1620/4885
US-20080214601-A1 2-ALKYLBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS HTR3E, HTR3C, HTR3A PARP1 1175/4885USP30 4078/4885CHRM2 1620/4885

“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.