SCHEMBL5215121

SCHEMBL5215121

CC(NC(=O)CN(C)C)c1cccc(-c2cccnc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.49
▸ CTSS P25774 1/20 0.49
▸ CTSK P43235 1/20 0.49
▸ PSEN1 P49768 1/20 0.47
▸ PSEN2 P49810 1/20 0.47
▸ APH1B Q8WW43 1/20 0.47
▸ NCSTN Q92542 1/20 0.47
▸ APH1A Q96BI3 1/20 0.47
▸ PSENEN Q9NZ42 1/20 0.47
▸ CTSA P10619 3/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ BTK Q06187 1/20 0.44
▸ KCNA5 P22460 1/20 0.44
▸ NTSR1 P30989 1/20 0.43
▸ KMO O15229 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ROCK2 O75116 1/20 0.42
▸ DYRK1A Q13627 3/20 0.41
▸ EPHX2 P34913 1/20 0.41

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
SCHEMBL5888341 1.00 CTSL (0.49) CTSLCTSSCTSKPSEN1PSEN2
SCHEMBL5888496 0.83 CTSL (0.49) CTSLCTSSCTSKPSEN1PSEN2
SCHEMBL5888499 0.83 CTSL (0.49) CTSLCTSSCTSKPSEN1PSEN2
SCHEMBL5888356 0.83 ROCK2 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5888361 0.83 ROCK2 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL30795674 0.81 ALDH1A1 (0.54) CTSLCTSSCTSKCTSAALDH1A1
SCHEMBL5888633 0.81 ALDH1A1 (0.54) CTSLCTSSCTSKCTSAALDH1A1
SCHEMBL5218642 0.81 ALDH1A1 (0.54) CTSLCTSSCTSKCTSAALDH1A1
SCHEMBL5888147 0.81 PRCP (0.54) CTSLCTSSCTSKPSEN1PSEN2
SCHEMBL5888153 0.81 PRCP (0.54) CTSLCTSSCTSKPSEN1PSEN2

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-1581516-A4 3-HETEROCYCLIC BENZYLAMIDE DERIVATIVES AS POTASSIUM CHANNEL OPENERS BRISTOL MYERS SQUIBB CO (US) 2007-10-17 — — EP disclosed
US-7135472-B2 3-Heterocyclic benzylamide derivatives as potassium channel openers BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-14 — — US disclosed
EP-1581516-A2 3-HETEROCYCLIC BENZYLAMIDE DERIVATIVES AS POTASSIUM CHANNEL OPENERS Bristol-Myers Squibb Company (US) 2005-10-05 — — EP disclosed
WO-2004047744-A2 3-HETEROCYCLIC BENZYLAMIDE DERIVATIVES AS POTASSIUM CHANNEL OPENERS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-06-10 — — WO disclosed
US-20040106621-A1 3-Heterocyclic benzylamide derivatives as potassium channel openers BRISTOL-MYERS SQUIBB COMPANY 2004-06-03 — — 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-20040106621-A1 3-Heterocyclic benzylamide derivatives as potassium channel openers KCNQ3, KCNQ5, KCNQ2 CTSL 4112/4885CTSS 3178/4885CTSK 3573/4885

“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.

Send feedback