SCHEMBL2472932

SCHEMBL2472932

O=C(CCc1ccc(C(F)(F)F)cc1)N1CCC(C(=O)NCCCc2ccccc2)(c2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.48
PLAAT3 P53816 1/20 0.47
PLAAT5 Q96KN8 1/20 0.47
PLAAT2 Q9NWW9 1/20 0.47
PLAAT4 Q9UL19 1/20 0.47
HRH3 Q9Y5N1 3/20 0.47
TP53 P04637 1/20 0.47
MDM2 Q00987 1/20 0.47
THRB P10828 1/20 0.47
CHRM5 P08912 1/20 0.46
CHRM3 P20309 1/20 0.46
TACR1 P25103 1/20 0.45
NPC1 O15118 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
EPHX2 P34913 2/20 0.44
YAP1 P46937 1/20 0.43
PRKAB2 O43741 1/20 0.43
PRKAG1 P54619 1/20 0.43
PRKAA2 P54646 1/20 0.43
PRKAA1 Q13131 1/20 0.43

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
SCHEMBL2469154 0.90 TACR1 (0.53) MC4RPLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL12194770 0.89 GFER (0.53) PLAAT3PLAAT5PLAAT2PLAAT4CHRM5
SCHEMBL12195696 0.87 HRH3 (0.40) MC4RPLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL2513103 0.87 CHRM5 (0.49) MC4RPLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL2471157 0.86 GFER (0.52) CHRM5CHRM3NPC1TDP1EPHX2
SCHEMBL2473858 0.85 CHRM5 (0.46) CHRM5CHRM3NPC1TDP1EPHX2
SCHEMBL2468401 0.85 TACR1 (0.54) PLAAT3PLAAT5PLAAT2PLAAT4HRH3
SCHEMBL2473046 0.85 TACR1 (0.54) PLAAT3PLAAT5PLAAT2PLAAT4HRH3
SCHEMBL2702482 0.85 HRH3 (0.54) PLAAT3PLAAT5PLAAT2PLAAT4HRH3
SCHEMBL13688315 0.85 CHRM5 (0.60) CHRM5CHRM3NPC1TDP1EPHX2

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-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 MC4R 3964/4885PLAAT3 2175/4885PLAAT5 838/4885

“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.