SCHEMBL2877931

SCHEMBL2877931

COc1cc2c(cc1N)OC(C)(C)[C@H](O)[C@H]2OC(=O)NCCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
KCNA3 P22001 1/20 0.41
TAAR1 Q96RJ0 4/20 0.41
GAA P10253 2/20 0.41
KCNA5 P22460 5/20 0.41
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
PLAAT3 P53816 1/20 0.40
PLAAT5 Q96KN8 1/20 0.40
PLAAT2 Q9NWW9 1/20 0.40
PLAAT4 Q9UL19 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.39
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
HPGD P15428 1/20 0.39
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39

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
SCHEMBL2891901 0.89 NPC1 (0.41) NPC1RAB9AKCNA3TAAR1GAA
SCHEMBL2891249 0.87 KCNA3 (0.40) NPC1RAB9AKCNA3TAAR1GAA
SCHEMBL2883991 0.86 KCNA5 (0.42) NPC1RAB9AKCNA3TAAR1GAA
SCHEMBL2887604 0.85 NPC1 (0.52) NPC1RAB9AKCNA3KCNA5ALDH1A1
SCHEMBL3596200 0.85 KCNA3 (0.40) NPC1RAB9AKCNA3TAAR1GAA
SCHEMBL2883788 0.84 KCNA5 (0.43) NPC1RAB9ATAAR1GAAKCNA5
SCHEMBL2891256 0.83 ALDH1A1 (0.42) NPC1RAB9AKCNA3TAAR1KCNA5
SCHEMBL2875594 0.83 KCNA5 (0.42) NPC1RAB9AKCNA3TAAR1GAA
SCHEMBL2889515 0.80 KCNA5 (0.43) NPC1RAB9ATAAR1GAAKCNA5
SCHEMBL2889365 0.79 KCNA5 (0.42) NPC1RAB9ATAAR1GAAKCNA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732929-B1 TRICYCLIC BENZOPYRAN COMPOUND AS ANTI-ARRHYTHMIC AGENTS NISSAN CHEMICAL IND LTD (JP) 2010-10-20 EP disclosed
US-7781483-B2 Benzopyran compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-08-24 US disclosed
US-20070299130-A1 Benzopyran Compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2007-12-27 US disclosed
EP-1732929-A1 TRICYCLIC BENZOPYRAN COMPOUND AS ANTI-ARRHYTHMIC AGENTS Nissan Chemical Industries, Ltd. (JP) 2006-12-20 EP disclosed
WO-2005090357-A1 TRICYCLIC BENZOPYRAN COMPOUND AS ANTI-ARRHYTHMIC AGENTS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2005-09-29 WO 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-20070299130-A1 Benzopyran Compound NR0B1, CYP2B6, RYR2 NPC1 3993/4885RAB9A 2024/4885KCNA3 118/4885

“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.