SCHEMBL2013190

SCHEMBL2013190

COc1cccc(C(=O)N(C)[C@H](CCN)Cc2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.52
HCRTR2 O43614 1/20 0.52
GPR139 Q6DWJ6 1/20 0.45
SIGMAR1 Q99720 1/20 0.44
HTR1A P08908 1/20 0.44
GPR52 Q9Y2T5 1/20 0.44
PARP1 P09874 1/20 0.44
ALDH1A1 P00352 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
PTGES O14684 1/20 0.42
ALOX5 P09917 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
VNN1 O95497 1/20 0.42

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
SCHEMBL3049769 1.00 HCRTR1 (0.52) HCRTR1HCRTR2GPR139SIGMAR1HTR1A
SCHEMBL3055734 0.91 ALDH1A1 (0.45) HCRTR1HCRTR2HTR1AALDH1A1MEN1
SCHEMBL3046297 0.91 ALDH1A1 (0.45) HCRTR1HCRTR2HTR1AALDH1A1MEN1
SCHEMBL3058134 0.89 HCRTR1 (0.64) HCRTR1HCRTR2ALDH1A1NPC1RAB9A
SCHEMBL3046978 0.89 HCRTR1 (0.64) HCRTR1HCRTR2ALDH1A1NPC1RAB9A
SCHEMBL3049987 0.87 ALDH1A1 (0.52) HTR1AALDH1A1NPC1RAB9AMEN1
SCHEMBL3057216 0.87 ALDH1A1 (0.52) HTR1AALDH1A1NPC1RAB9AMEN1
SCHEMBL3048416 0.87 HCRTR1 (0.51) HCRTR1HCRTR2GPR139MEN1KMT2A
SCHEMBL3053244 0.87 HCRTR1 (0.55) HCRTR1HCRTR2ALDH1A1NPC1RAB9A
SCHEMBL3058136 0.87 HCRTR1 (0.51) HCRTR1HCRTR2GPR139MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011073316-A1 4-ARYL-BUTANE-1,3-DIAMIDES NOVARTIS AG (CH) 2011-06-23 WO disclosed
US-20100222396-A1 4-ARYL-BUTANE-1,3-DIAMIDES NOVARTIS AG (CH) 2010-09-02 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 (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-20100222396-A1 4-ARYL-BUTANE-1,3-DIAMIDES CYP11B2, CYP11B1, BBC3 HCRTR1 3230/4885HCRTR2 3029/4885GPR139 2296/4885

“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.