SCHEMBL2467338

SCHEMBL2467338

COc1ccc(CCNC(=O)C2(c3ccccc3)CCNCC2)cc1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 3/20 0.74
CHRM3 P20309 3/20 0.74
CHRM1 P11229 2/20 0.55
NPC1 O15118 1/20 0.55
GAA P10253 1/20 0.55
RAB9A P51151 1/20 0.55
TAAR1 Q96RJ0 1/20 0.55
FPR2 P25090 1/20 0.53
PLAAT3 P53816 2/20 0.52
PLAAT5 Q96KN8 2/20 0.52
PLAAT2 Q9NWW9 2/20 0.52
PLAAT4 Q9UL19 2/20 0.52
PTPN1 P18031 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
TACR1 P25103 1/20 0.51
ALDH1A1 P00352 2/20 0.50

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
SCHEMBL8747064 0.89 CHRM5 (0.79) CHRM5CHRM3CHRM1NPC1GAA
SCHEMBL378738 0.89 TACR1 (0.58) CHRM5CHRM3L3MBTL1SMN1; SMN2TACR1
SCHEMBL2470761 0.88 ALDH1A1 (0.65) CHRM5CHRM3NPC1RAB9ASMN1; SMN2
SCHEMBL5350274 0.88 CHRM5 (0.77) CHRM5CHRM3CHRM1NPC1GAA
SCHEMBL378386 0.84 TACR1 (0.57) CHRM5CHRM3NPC1RAB9APLAAT3
SCHEMBL378422 0.82 TACR1 (0.56) CHRM5CHRM3NPC1GAARAB9A
SCHEMBL2471145 0.81 CHRM5 (0.77) CHRM5CHRM3CHRM1SMN1; SMN2ALDH1A1
SCHEMBL3915618 0.81 SMN1; SMN2 (0.56) CHRM5CHRM3NPC1GAARAB9A
SCHEMBL13593900 0.80 CHRM5 (0.74) CHRM5CHRM3CHRM1PLAAT3PLAAT5
SCHEMBL2473234 0.80 CHRM5 (0.70) CHRM5CHRM3CHRM1GAAFPR2

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 CHRM5 676/4885CHRM3 1015/4885CHRM1 1953/4885

“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.