SCHEMBL2473028

SCHEMBL2473028

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

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
OPRM1 P35372 5/20 0.43
OPRL1 P41146 3/20 0.43
TACR1 P25103 3/20 0.41
TACR3 P29371 2/20 0.41
OPRD1 P41143 2/20 0.41
OPRK1 P41145 2/20 0.41
CYP3A4 P08684 1/20 0.40
GAA P10253 1/20 0.40
CYP2C19 P33261 1/20 0.40
FSHR P23945 2/20 0.40
CHRNA7 P36544 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
SCHEMBL2471940 0.85 TACR3 (0.44) TSHRSMN1; SMN2OPRM1OPRL1TACR1
SCHEMBL2473487 0.81 ALDH1A1 (0.50) TSHRTACR1CYP3A4GAACYP2C19
SCHEMBL2470163 0.79 TSHR (0.56) TSHRSMN1; SMN2OPRM1TACR3OPRD1
SCHEMBL2701748 0.73 CHRNA7 (0.49) OPRM1OPRL1CHRNA7
SCHEMBL2471174 0.71 NPC1 (0.52) TSHRSMN1; SMN2OPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL11286492 0.69 SIGMAR1 (0.50) OPRM1OPRL1
SCHEMBL2467123 0.69 ALDH1A1 (0.48) OPRL1TACR1
SCHEMBL2701751 0.68 SLC6A4 (0.65) OPRM1OPRL1TACR1OPRK1CHRNA7
SCHEMBL2701337 0.67 KMT2A (0.72) TSHRSMN1; SMN2CYP2C19
SCHEMBL14252703 0.67 OPRM1 (0.50) TSHRSMN1; SMN2OPRM1OPRL1OPRD1

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 TSHR 2555/4885SMN1; SMN2 4032/4885OPRM1 2850/4885

“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.