SCHEMBL18538899

SCHEMBL18538899

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

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD5 P21918 1/20 0.71
SCNN1A P37088 1/20 0.71
SCNN1B P51168 1/20 0.71
SCNN1G P51170 1/20 0.71
HRH3 Q9Y5N1 1/20 0.71
GRM5 P41594 2/20 0.34
ROCK2 O75116 1/20 0.34
ACSS2 Q9NR19 4/20 0.33
PIK3CA P42336 4/20 0.32
PIK3CD O00329 1/20 0.32
RPS6KA5 O75582 1/20 0.32
AKT1 P31749 1/20 0.32
AKT2 P31751 1/20 0.32
ROCK1 Q13464 1/20 0.32
AKT3 Q9Y243 1/20 0.32
KDM4E B2RXH2 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPKAPK2 P49137 1/20 0.32

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
SCHEMBL18538904 0.95 DRD5 (0.69) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL20348259 0.93 DRD5 (0.68) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL18538901 0.91 DRD5 (0.70) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL18538902 0.91 DRD5 (0.81) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL18541230 0.90 DRD5 (0.58) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL18538924 0.89 DRD5 (0.76) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL20348258 0.89 DRD5 (0.67) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL18538913 0.89 DRD5 (0.85) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL18541255 0.88 DRD5 (0.66) DRD5SCNN1ASCNN1BSCNN1GHRH3
SCHEMBL20032721 0.87 DRD5 (0.73) 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.