SCHEMBL2471900

SCHEMBL2471900

O=C(CCc1ccccc1)N1CCC(Cc2ccccc2)(C(=O)NCCc2cccc(F)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 10/20 0.49
OPRD1 P41143 10/20 0.49
EPHX2 P34913 1/20 0.49
ALDH1A1 P00352 1/20 0.46
GFER P55789 1/20 0.46
NPC1 O15118 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
TP53 P04637 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
USP7 Q93009 1/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45

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
SCHEMBL2472142 0.92 GFER (0.55) EPHX2GFERNPC1TDP1TAAR1
SCHEMBL2469409 0.92 GFER (0.55) EPHX2GFERNPC1TDP1TAAR1
SCHEMBL2472152 0.91 NPC1 (0.55) EPHX2ALDH1A1GFERNPC1TDP1
SCHEMBL2472451 0.88 NPC1 (0.46) ALDH1A1NPC1TDP1USP7KMT2A
SCHEMBL2471243 0.87 PLAAT3 (0.46) OPRM1OPRD1ALDH1A1NPC1TDP1
SCHEMBL2470199 0.87 GFER (0.50) EPHX2ALDH1A1GFERNPC1TDP1
SCHEMBL2469442 0.86 PLAAT3 (0.55) EPHX2ALDH1A1NPC1TDP1KMT2A
SCHEMBL2471555 0.86 NPC1 (0.45) ALDH1A1NPC1TDP1USP7KMT2A
SCHEMBL2471161 0.85 ALDH1A1 (0.55) EPHX2ALDH1A1NPC1TDP1USP7
SCHEMBL2495227 0.85 NPC1 (0.49) ALDH1A1NPC1TDP1USP7KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2228065-B1 Heterocyclo inhibitors of potassium channel function BRISTOL MYERS SQUIBB CO (US) 2012-12-26 EP disclosed
EP-2371366-A1 Heterocyclo inhibitors of potassium channel function Bristol-Myers Squibb Company (US) 2011-10-05 EP disclosed
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY 2009-12-17 US 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
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 OPRM1 2850/4885OPRD1 2240/4885EPHX2 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.