SCHEMBL2471940

SCHEMBL2471940

CN(CCc1cccc(C(F)(F)F)c1)C(=O)C1(c2ccccc2)CCN(S(=O)(=O)NCc2ccc(F)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 3/20 0.44
TACR1 P25103 1/20 0.41
ALDH1A1 P00352 1/20 0.40
GALR3 O60755 1/20 0.39
OPRL1 P41146 4/20 0.39
TSHR P16473 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
FSHR P23945 2/20 0.37
OPRM1 P35372 2/20 0.37
S1PR2 O95136 1/20 0.37
PLA2G1B P04054 1/20 0.37
PKM P14618 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37

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
SCHEMBL2467123 0.85 ALDH1A1 (0.48) TACR1ALDH1A1GALR3OPRL1LMNA
SCHEMBL2473028 0.85 TSHR (0.44) TACR3TACR1OPRL1TSHRSMN1; SMN2
SCHEMBL2472311 0.83 ALDH1A1 (0.48) TACR3ALDH1A1OPRL1TSHRSMN1; SMN2
SCHEMBL2701062 0.76 KMT2A (0.53) ALDH1A1OPRL1RAB9APKM
SCHEMBL13593924 0.76 ALDH1A1 (0.67) TACR1ALDH1A1OPRL1TSHRRAB9A
SCHEMBL2703624 0.74 ALDH1A1 (0.51) ALDH1A1OPRL1PKM
SCHEMBL2513448 0.73 ALDH1A1 (0.58) TACR1ALDH1A1OPRL1LMNAOPRM1
SCHEMBL2473487 0.71 ALDH1A1 (0.50) TACR1ALDH1A1TSHRFSHRPLA2G1B
SCHEMBL13183011 0.70 ALDH1A1 (0.74) TACR1ALDH1A1OPRL1TSHRSMN1; SMN2
SCHEMBL2469733 0.69 ALDH1A1 (0.55) ALDH1A1OPRL1SMN1; SMN2RAB9A

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 10 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-1501467-B1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL MYERS SQUIBB CO (US) 2012-05-09 EP disclosed
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-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
US-7005436-B2 Heterocyclo inhibitors of potassium channel function BRISTOL MYERS SQUIBB COMPANY (US) 2006-02-28 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 TACR3 506/4885TACR1 3354/4885ALDH1A1 3941/4885

“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.