SCHEMBL2888950

SCHEMBL2888950

CN(C)c1ccc2c(c1)OC(C)(C)[C@H](O)[C@H]2OC(=O)NCCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 12/20 0.42
ALDH1A1 P00352 2/20 0.38
GAA P10253 2/20 0.38
ALOX15 P16050 1/20 0.38
TAAR1 Q96RJ0 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
CNR1 P21554 1/20 0.37
CSF1R P07333 1/20 0.37
KCNE1 P15382 1/20 0.37
KCNQ1 P51787 1/20 0.37

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
SCHEMBL5661824 0.92 KCNA5 (0.41) KCNA5ALDH1A1GAATAAR1NPC1
SCHEMBL2889224 0.90 KCNA5 (0.43) KCNA5ALDH1A1NPC1RAB9AKCNE1
SCHEMBL2883788 0.86 KCNA5 (0.43) KCNA5ALDH1A1GAATAAR1NPC1
SCHEMBL2889515 0.85 KCNA5 (0.43) KCNA5ALDH1A1GAATAAR1NPC1
SCHEMBL2891148 0.83 SMN1; SMN2 (0.48) KCNA5ALDH1A1TAAR1NPC1RAB9A
SCHEMBL2891249 0.83 KCNA3 (0.40) KCNA5ALDH1A1GAATAAR1NPC1
SCHEMBL2891262 0.83 KCNA5 (0.43) KCNA5ALDH1A1GAATAAR1NPC1
SCHEMBL2889346 0.82 KCNA5 (0.44) KCNA5NPC1RAB9AKCNE1KCNQ1
SCHEMBL2891657 0.81 KCNA5 (0.44) KCNA5NPC1RAB9AKCNE1KCNQ1
SCHEMBL2887624 0.79 ABCB1 (0.46) KCNA5ALDH1A1GAAALOX15KCNE1

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-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

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 KCNA5 69/4885ALDH1A1 2971/4885GAA 4316/4885

“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.