SCHEMBL18538929

SCHEMBL18538929

CCCCN1CCN(C(=O)c2ccc3c(c2)[n+](CC)c(CNC(=O)c2nc(Cl)cnc2N)n3CC)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD5 P21918 1/20 0.57
▸ SCNN1A P37088 1/20 0.57
▸ SCNN1B P51168 1/20 0.57
▸ SCNN1G P51170 1/20 0.57
▸ HRH3 Q9Y5N1 1/20 0.57
▸ ATR Q13535 3/20 0.38
▸ HPGD P15428 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ MTOR P42345 1/20 0.34
▸ MET P08581 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ BMPR1B O00238 1/20 0.33
▸ BMPR1A P36894 1/20 0.33
▸ TGFBR1 P36897 1/20 0.33
▸ ACVRL1 P37023 1/20 0.33
▸ ACVR1 Q04771 1/20 0.33
▸ CNR2 P34972 3/20 0.33
▸ KMT2A Q03164 2/20 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
SCHEMBL18538912 0.93 DRD5 (0.48) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL18541300 0.91 DRD5 (0.58) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL18541358 0.90 DRD5 (0.47) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL18538925 0.90 DRD5 (0.57) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL18538910 0.86 DRD5 (0.68) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL21444465 0.86 DRD5 (0.50) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL18541364 0.84 DRD5 (0.67) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL18538923 0.83 DRD5 (0.68) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL18538922 0.82 DRD5 (0.69) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL18541299 0.82 DRD5 (0.48) 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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