SCHEMBL20204947

SCHEMBL20204947

CCn1c(CNC(=O)O)nc2ccc(OC)cc21

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 9/20 0.55
MTNR1B P49286 9/20 0.55
ACSS2 Q9NR19 1/20 0.52
HTT P42858 1/20 0.49
TDP1 Q9NUW8 1/20 0.47
S1PR1 P21453 1/20 0.47
NPC1 O15118 2/20 0.47
MAPT P10636 2/20 0.47
NLRP3 Q96P20 1/20 0.47
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL12635920 0.85 BRD4 (0.51) MTNR1AMTNR1BACSS2NPC1MAPT
SCHEMBL2018097 0.85 HTT (0.59) ACSS2HTTMAPTRAB9A
SCHEMBL2018295 0.84 HTT (0.52) ACSS2HTTMAPT
SCHEMBL20191187 0.82 HTT (0.51) ACSS2HTT
SCHEMBL2020612 0.80 ACSS2 (0.56) MTNR1AMTNR1BACSS2TDP1S1PR1
SCHEMBL4036510 0.80 S1PR1 (0.52) ACSS2HTTS1PR1CYP3A4CYP2C19
SCHEMBL2018438 0.79 SCNN1A (0.44) MTNR1AMTNR1BACSS2HTTS1PR1
SCHEMBL16176419 0.78 MTNR1A (0.52) MTNR1AMTNR1B
SCHEMBL16406373 0.78 ACSS2 (0.53) MTNR1AMTNR1BACSS2TDP1S1PR1
SCHEMBL12635707 0.77 PPARG (0.45) MTNR1AMTNR1BACSS2HTTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3794002-A1 COMPOUNDS Enterprise Therapeutics Limited (GB) 2021-03-24 EP disclosed
US-20190315757-A1 BENZODIAZOLIUM COMPOUNDS AS ENaC INHIBITORS Enterprise Therapeutics Limited (GB) 2019-10-17 US disclosed
EP-3544981-A1 BENZODIAZOLIUM COMPOUNDS AS ENAC INHIBITORS Enterprise Therapeutics Limited (GB) 2019-10-02 EP disclosed
WO-2018096325-A1 BENZODIAZOLIUM COMPOUNDS AS ENAC INHIBITORS Enterprise Therapeutics Limited (GB) 2018-05-31 WO 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 (1 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-20190315757-A1 BENZODIAZOLIUM COMPOUNDS AS ENaC INHIBITORS NHERF1, SCNN1B, SCNN1A MTNR1A 1107/4885MTNR1B 1679/4885ACSS2 2426/4885

“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.