SCHEMBL9970063

SCHEMBL9970063

CN1CC[C@@H](NC(=O)c2ccc(C#N)cc2)C[C@@H]1c1nc2ccccc2[nH]1

nearest known ligand 0.79

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
USP30 Q70CQ3 1/20 0.47
KCNH2 Q12809 1/20 0.46
FASN P49327 1/20 0.44
HRH2 P25021 1/20 0.42
HRH1 P35367 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
Trifluoroacetic Acid SCHEMBL2068117 0.94 NPC1 (0.46) NPC1RAB9AUSP30KCNH2FASN
SCHEMBL18536536 0.91 KCNH2 (0.46) NPC1RAB9AUSP30KCNH2FASN
SCHEMBL13962627 0.89 HTR2B (0.43) USP30
Glasdegib SCHEMBL29359708 0.88 EPHX1 (0.45) NPC1RAB9AUSP30KCNH2
Glasdegib SCHEMBL22104131 0.88 EPHX1 (0.45) NPC1RAB9AUSP30KCNH2
Glasdegib SCHEMBL24503991 0.88 EPHX1 (0.45) NPC1RAB9AUSP30KCNH2
Glasdegib SCHEMBL18184932 0.88 EPHX1 (0.45) NPC1RAB9AUSP30KCNH2
Glasdegib SCHEMBL27100349 0.88 EPHX1 (0.45) NPC1RAB9AUSP30KCNH2
Glasdegib SCHEMBL2068480 0.88 EPHX1 (0.45) NPC1RAB9AUSP30KCNH2
Glasdegib SCHEMBL2068016 0.88 EPHX1 (0.44) NPC1RAB9AUSP30KCNH2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8431597-B2 Benzimidazole derivatives PFIZER INC. (US) 2013-04-30 US disclosed
US-8431597-B2 Benzimidazole derivatives PFIZER INC. (US) 2013-04-30 US disclosed
US-20120157495-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2012-06-21 US disclosed
US-20120157495-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2012-06-21 US disclosed
US-8148401-B2 Benzimidazole derivatives PFIZER INC. (US) 2012-04-03 US disclosed
US-8148401-B2 Benzimidazole derivatives PFIZER INC. (US) 2012-04-03 US disclosed
US-20090005416-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2009-01-01 US disclosed
US-20090005416-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2009-01-01 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 (2 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-20090005416-A1 BENZIMIDAZOLE DERIVATIVES BOD1L1, H1-3, BRIX1 NPC1 2444/4885RAB9A 1426/4885USP30 4188/4885
US-20120157495-A1 BENZIMIDAZOLE DERIVATIVES BOD1L1, H1-3, BRIX1 NPC1 2444/4885RAB9A 1426/4885USP30 4188/4885

“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.