SCHEMBL18538902

SCHEMBL18538902

CCn1c(CNC(=O)c2nc(Cl)cnc2N)[n+](CC)c2ccc(C(=O)NCCN(C)C)cc21

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD5 P21918 1/20 0.81
▸ SCNN1A P37088 1/20 0.81
▸ SCNN1B P51168 1/20 0.81
▸ SCNN1G P51170 1/20 0.81
▸ HRH3 Q9Y5N1 1/20 0.81
▸ ACSS2 Q9NR19 1/20 0.41
▸ PRKD3 O94806 1/20 0.37
▸ PRKD1 Q15139 1/20 0.37
▸ PRKD2 Q9BZL6 1/20 0.37
▸ TLR7 Q9NYK1 1/20 0.36
▸ MAP4K4 O95819 1/20 0.35
▸ PTGER4 P35408 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ CHEK2 O96017 1/20 0.34
▸ PIK3CD O00329 1/20 0.34
▸ RET P07949 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ NAMPT P43490 1/20 0.33
▸ GRM5 P41594 1/20 0.33

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
SCHEMBL20348260 0.93 DRD5 (0.78) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL18538899 0.91 DRD5 (0.71) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL18538918 0.90 DRD5 (0.98) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL18538901 0.90 DRD5 (0.70) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL18538904 0.89 DRD5 (0.69) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL17937178 0.89 HRH3 (0.65) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL18538914 0.89 DRD5 (0.90) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL20032722 0.89 DRD5 (0.85) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL20348262 0.88 DRD5 (0.89) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL18538924 0.88 DRD5 (0.76) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3337483-B1 NOVEL ANNELATED BENZAMIDES BOEHRINGER INGELHEIM INT (DE) 2019-10-09 — — EP disclosed
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
WO-2017028926-A1 NOVEL ANNELATED BENZAMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-02-23 — — WO 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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