SCHEMBL18538907

SCHEMBL18538907

C=C(c1ccc2c(c1)n(CC)c(CNC(=O)c1nc(Cl)cnc1N)[n+]2CC)N1CCC(NC(=O)CN(C)C)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD5 P21918 1/20 0.65
▸ SCNN1A P37088 1/20 0.65
▸ SCNN1B P51168 1/20 0.65
▸ SCNN1G P51170 1/20 0.65
▸ HRH3 Q9Y5N1 1/20 0.65
▸ SMO Q99835 4/20 0.34
▸ ACVR1 Q04771 3/20 0.32
▸ ATR Q13535 3/20 0.31
▸ CDC7 O00311 1/20 0.30
▸ DAPK3 O43293 1/20 0.30
▸ ROCK2 O75116 1/20 0.30
▸ MAP4K4 O95819 1/20 0.30
▸ PAK4 O96013 1/20 0.30
▸ PIM1 P11309 1/20 0.30
▸ PRKACA P17612 1/20 0.30
▸ CDK2 P24941 1/20 0.30
▸ FLT3 P36888 1/20 0.30
▸ CSNK1A1 P48729 1/20 0.30
▸ CDK8 P49336 1/20 0.30
▸ CLK2 P49760 1/20 0.30

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
SCHEMBL18538916 0.94 DRD5 (0.62) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL18538928 0.94 DRD5 (0.66) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL20032720 0.90 DRD5 (0.69) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL18538930 0.87 DRD5 (0.64) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL20032718 0.86 DRD5 (0.67) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL18538900 0.86 DRD5 (0.66) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL18541250 0.85 DRD5 (0.55) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL20348264 0.83 DRD5 (0.63) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL18538911 0.83 HRH3 (0.70) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL18538922 0.82 DRD5 (0.69) DRD5SCNN1ASCNN1BSCNN1GHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180186774-A1 NOVEL ANNELATED BENZAMIDES BOEHRINGER INGELHEIM INT (DE) 2018-07-05 — — US disclosed
US-9938256-B2 Annelated benzamides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-04-10 — — US disclosed
US-20170050952-A1 NOVEL ANNELATED BENZAMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-02-23 — — 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-20170050952-A1 NOVEL ANNELATED BENZAMIDES HDAC10, HDAC11, H1-0 DRD5 608/4885SCNN1A 667/4885SCNN1B 1056/4885
US-20180186774-A1 NOVEL ANNELATED BENZAMIDES HDAC10, HDAC11, H1-0 DRD5 608/4885SCNN1A 667/4885SCNN1B 1056/4885

“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.

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