SCHEMBL4841296

SCHEMBL4841296

Cn1nnc(Cc2ccccc2N[C@H]2c3cc(C#N)ccc3OC(C)(C)[C@@H]2O)n1

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 7/20 0.52
▸ ABCC9 O60706 12/20 0.48

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
SCHEMBL9227177 0.83 ABCB1 (0.52) ABCB1ABCC9
SCHEMBL9231041 0.81 ABCB1 (0.53) ABCB1ABCC9
SCHEMBL9223478 0.81 ABCB1 (0.59) ABCB1ABCC9
SCHEMBL9223921 0.81 ABCB1 (0.61) ABCB1ABCC9
SCHEMBL9223744 0.80 ABCB1 (0.54) ABCB1ABCC9
SCHEMBL9221558 0.80 ABCB1 (0.56) ABCB1ABCC9
SCHEMBL9224765 0.79 ABCB1 (0.57) ABCB1ABCC9
SCHEMBL9224832 0.79 ABCC8 (0.53) ABCB1ABCC9
SCHEMBL9224892 0.79 ABCC8 (0.53) ABCB1ABCC9
SCHEMBL9227068 0.79 ABCB1 (0.53) ABCB1ABCC9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060035948-A1 Benzopyran derivatives substituted with secondary amines including tetrazole, method for the preparation thereof and pharmaceutical compositions containing them DONGBU HANNONG CHEMICAL CO., LTD. (KR) 2006-02-16 — — US claimed
US-7414068-B2 Benzopyran derivatives substituted with secondary amines including tetrazole, method for the preparation thereof and pharmaceutical compositions containing them DONGBU HANNONG CHEMICAL CO., LTD. (KR) 2008-08-19 — — US disclosed
US-20060035948-A1 Benzopyran derivatives substituted with secondary amines including tetrazole, method for the preparation thereof and pharmaceutical compositions containing them DONGBU HANNONG CHEMICAL CO., LTD. (KR) 2006-02-16 — — 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-20060035948-A1 Benzopyran derivatives substituted with secondary amines including tetrazole, method for the preparation thereof and pharmaceutical compositions containing them TH, TNNI3, NOS3 ABCB1 1370/4885ABCC9 1599/4885

“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.

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