SCHEMBL2467123

SCHEMBL2467123

O=C(NCCc1cccc(C(F)(F)F)c1)C1(c2ccccc2)CCN(S(=O)(=O)NCc2ccc(F)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
TACR1 P25103 2/20 0.48
OPRL1 P41146 4/20 0.45
CHRM5 P08912 1/20 0.42
CHRM3 P20309 1/20 0.42
LMNA P02545 1/20 0.41
RAB9A P51151 1/20 0.41
PLA2G1B P04054 1/20 0.41
PKM P14618 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
CHRM4 P08173 1/20 0.40
GALR3 O60755 1/20 0.40
TP53 P04637 1/20 0.39
MDM2 Q00987 1/20 0.39
NAMPT P43490 1/20 0.39

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
SCHEMBL2473487 0.86 ALDH1A1 (0.50) ALDH1A1TACR1CHRM5CHRM3PLA2G1B
SCHEMBL2471940 0.85 TACR3 (0.44) ALDH1A1TACR1OPRL1LMNARAB9A
SCHEMBL13593924 0.84 ALDH1A1 (0.67) ALDH1A1TACR1OPRL1RAB9APKM
SCHEMBL2469740 0.82 TACR1 (0.48) TACR1OPRL1CHRM5CHRM3CHRM4
SCHEMBL2513448 0.81 ALDH1A1 (0.58) ALDH1A1TACR1OPRL1LMNAPKM
SCHEMBL5345935 0.79 TRPA1 (0.48) ALDH1A1TACR1OPRL1TP53MDM2
SCHEMBL5349800 0.79 SMN1; SMN2 (0.55) TACR1CHRM5CHRM3LMNATP53
SCHEMBL2701062 0.79 KMT2A (0.53) ALDH1A1OPRL1RAB9APKM
SCHEMBL13183011 0.79 ALDH1A1 (0.74) ALDH1A1TACR1OPRL1CHRM5CHRM3
SCHEMBL2513103 0.78 CHRM5 (0.49) TACR1CHRM5CHRM3CHRM4TP53

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 ALDH1A1 3941/4885TACR1 3354/4885OPRL1 1904/4885

“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.