SCHEMBL2465757

SCHEMBL2465757

CCc1ccc(CCNC(=O)C2(Cc3ccccc3)CCN(C(=O)c3ccncc3)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.49
CYP2D6 P10635 5/20 0.49
TSHR P16473 4/20 0.49
CYP2C19 P33261 4/20 0.49
ALDH1A1 P00352 3/20 0.48
RAB9A P51151 1/20 0.48
CYP2C9 P11712 4/20 0.44
CYP46A1 Q9Y6A2 3/20 0.43
KMT2A Q03164 2/20 0.43
NR3C2 P08235 1/20 0.43
CYP1A2 P05177 2/20 0.43
CCR8 P51685 1/20 0.42
KCNH2 Q12809 1/20 0.42
PKLR P30613 1/20 0.42
USP2 O75604 1/20 0.42
MEN1 O00255 1/20 0.42
HIF1A Q16665 1/20 0.42

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 0.94 ALDH1A1 (0.55) ALDH1A1RAB9AKMT2AKCNH2MEN1
SCHEMBL2468026 0.91 CHRM2 (0.52) ALDH1A1RAB9AKMT2APKLRMEN1
SCHEMBL2470282 0.90 ALDH1A1 (0.48) ALDH1A1RAB9AKMT2APKLRMEN1
SCHEMBL2471026 0.89 EPHX1 (0.50) ALDH1A1KMT2ACCR8KCNH2PKLR
SCHEMBL2472974 0.89 KMT2A (0.57) ALDH1A1RAB9AKMT2AMEN1
SCHEMBL2468511 0.86 L3MBTL1 (0.45) CYP3A4CYP2D6CYP2C19ALDH1A1CYP2C9
SCHEMBL2470146 0.86 ALDH1A1 (0.47) TSHRALDH1A1RAB9AKMT2APKLR
SCHEMBL2471222 0.86 CYP2D6 (0.53) CYP3A4CYP2D6CYP2C19ALDH1A1RAB9A
SCHEMBL2467860 0.86 KMT2A (0.55) ALDH1A1RAB9AKMT2APKLRMEN1
SCHEMBL2471140 0.85 ALDH1A1 (0.39) ALDH1A1RAB9AKMT2ANR3C2MEN1

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 CYP3A4 1607/4885CYP2D6 1945/4885TSHR 2555/4885

“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.