SCHEMBL2469262

SCHEMBL2469262

CCc1ccc(CCNC(=O)C2(Cc3ccccc3)CCN(C(=O)c3cc(F)c(F)cc3F)CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
OPRM1 P35372 3/20 0.39
OPRD1 P41143 3/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 2/20 0.39
TACR1 P25103 1/20 0.39
TACR3 P29371 1/20 0.39
CYP46A1 Q9Y6A2 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MGLL Q99685 1/20 0.39
FKBP1A P62942 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CNR2 P34972 1/20 0.38
HTR1A P08908 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL2471483 0.85 ALDH1A1 (0.55) ALDH1A1KMT2ATACR1TACR3FKBP1A
SCHEMBL2472974 0.85 KMT2A (0.57) ALDH1A1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL2470362 0.83 CYP2D6 (0.45) ALDH1A1OPRM1LMNAKMT2ATACR1
SCHEMBL2465757 0.82 CYP3A4 (0.49) ALDH1A1KMT2ACYP46A1RAB9AMEN1
SCHEMBL2470282 0.82 ALDH1A1 (0.48) ALDH1A1LMNAKMT2ASMN1; SMN2NPC1
SCHEMBL2471140 0.81 ALDH1A1 (0.39) ALDH1A1LMNAKMT2AFKBP1ANPC1
SCHEMBL2470205 0.81 ALDH1A1 (0.51) ALDH1A1LMNAKMT2ASMN1; SMN2FKBP1A
SCHEMBL2471735 0.81 NPC1 (0.49) ALDH1A1LMNAKMT2ASMN1; SMN2FKBP1A
SCHEMBL2471026 0.81 EPHX1 (0.50) ALDH1A1LMNAKMT2ASMN1; SMN2HTR1A
SCHEMBL2473963 0.81 ALDH1A1 (0.47) ALDH1A1LMNAKMT2ASMN1; SMN2NPC1

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 3941/4885OPRM1 2850/4885OPRD1 2240/4885

“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.