SCHEMBL2467425

SCHEMBL2467425

COc1ccccc1C(=O)NC(C1(c2cccc(C(F)(F)F)c2)CCNCC1)S(=O)(=O)N(C)C

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 9/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C19 P33261 1/20 0.44
SLC6A9 P48067 2/20 0.40
NCS1 P62166 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
KLRK1 P26718 2/20 0.39
MICA Q29983 2/20 0.39
RAET1L Q5VY80 2/20 0.39
RORC P51449 1/20 0.38
RORB Q92753 1/20 0.38
ITGB1 P05556 1/20 0.37
ITGA4 P13612 1/20 0.37
ITGB7 P26010 1/20 0.37
SOAT1 P35610 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
SCHEMBL2465813 0.91 RXFP1 (0.47) RXFP1CYP1A2CYP3A4MAPTCYP2C19
SCHEMBL2469390 0.89 P2RX1 (0.42) RXFP1CYP1A2CYP3A4MAPTCYP2C19
SCHEMBL2468331 0.88 ALDH1A1 (0.44) SLC6A9ITGB1ITGA4ITGB7
SCHEMBL2468531 0.87 NPC1 (0.41) MAPTLMNATSHRRORCRORB
SCHEMBL2465586 0.87 SMN1; SMN2 (0.41) SLC6A9LMNA
SCHEMBL2465785 0.86 GAA (0.40) LMNA
SCHEMBL2468321 0.85 ALDH1A1 (0.44) SLC6A9ITGB1ITGA4ITGB7
SCHEMBL2469428 0.82 ALDH1A1 (0.44) SLC6A9ITGB1ITGA4ITGB7
SCHEMBL2471276 0.81 ALDH1A1 (0.44) SLC6A9
SCHEMBL2467306 0.81 ALDH1A1 (0.45) SLC6A9TSHR

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 6 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-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 RXFP1 3494/4885CYP1A2 3053/4885CYP3A4 1607/4885

“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.