SCHEMBL2467026

SCHEMBL2467026

O=C(C#Cc1ccccc1)N1CCC(C(=O)NCCCc2ccccc2)(c2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CHRM5 P08912 1/20 0.48
▸ CHRM3 P20309 1/20 0.48
▸ EPHX2 P34913 3/20 0.47
▸ NAMPT P43490 4/20 0.45
▸ HTT P42858 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ KCNA3 P22001 1/20 0.43
▸ MMP8 P22894 1/20 0.42
▸ OPRL1 P41146 3/20 0.41
▸ TPSAB1 Q15661 1/20 0.41
▸ OPRM1 P35372 1/20 0.40
▸ AR P10275 1/20 0.40
▸ EPHX1 P07099 1/20 0.40

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
SCHEMBL13594297 0.81 CHRM3 (0.53) CHRM5CHRM3EPHX2NAMPTHTT
SCHEMBL2523817 0.81 OPRL1 (0.53) ALDH1A1OPRL1OPRM1
SCHEMBL13182941 0.79 CHRM5 (0.53) CHRM5CHRM3EPHX2NAMPTHTT
SCHEMBL2473530 0.79 CHRM5 (0.53) CHRM5CHRM3EPHX2NAMPTHTT
SCHEMBL13182920 0.79 CHRM5 (0.53) CHRM5CHRM3EPHX2NAMPTHTT
SCHEMBL2473435 0.79 CHRM5 (0.53) CHRM5CHRM3EPHX2NAMPTHTT
SCHEMBL2701618 0.78 KMT2A (0.56) AR
SCHEMBL14327363 0.78 CHRM5 (0.49) CHRM5CHRM3EPHX2NAMPTHTT
SCHEMBL12194678 0.78 CHRM5 (0.52) CHRM5CHRM3EPHX2NAMPTHTT
SCHEMBL12194770 0.77 GFER (0.53) CHRM5CHRM3EPHX2NAMPTOPRL1

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
EP-2371366-A1 Heterocyclo inhibitors of potassium channel function Bristol-Myers Squibb Company (US) 2011-10-05 — — EP disclosed
EP-2228065-A2 Heterocyclo inhibitors of potassium channel function Bristol-Myers Squibb Company (US) 2010-09-15 — — EP disclosed
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY 2009-12-17 — — US disclosed
US-7582654-B2 Heterocyclo inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-01 — — 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-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 CHRM5 676/4885CHRM3 1015/4885EPHX2 3772/4885

“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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