SCHEMBL4183680

SCHEMBL4183680

COc1ccccc1CCNC(=O)C#Cc1ccc(Cl)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.55
MTNR1A P48039 1/20 0.52
MTNR1B P49286 1/20 0.52
KMT2A Q03164 2/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HPGD P15428 2/20 0.44
SNCA P37840 1/20 0.44
ANO1 Q5XXA6 1/20 0.43
ANO2 Q9NQ90 1/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
ALOX15 P16050 1/20 0.43

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
SCHEMBL4181662 0.84 MTNR1A (0.54) CNR1MTNR1AMTNR1BKMT2ANPC1
SCHEMBL4170494 0.83 MTNR1A (0.55) CNR1MTNR1AMTNR1BKMT2ANPC1
SCHEMBL4175914 0.81 MTNR1A (0.53) CNR1MTNR1AMTNR1BKMT2ANPC1
SCHEMBL4170473 0.80 MTNR1A (0.56) CNR1MTNR1AMTNR1BKMT2ANPC1
SCHEMBL4186381 0.79 MTNR1A (0.62) CNR1MTNR1AMTNR1BKMT2ANPC1
SCHEMBL4180401 0.78 MTNR1A (0.54) CNR1MTNR1AMTNR1BKMT2ANPC1
SCHEMBL4181127 0.77 MTNR1A (0.56) CNR1MTNR1AMTNR1BKMT2ANPC1
SCHEMBL4171364 0.77 CNR1 (0.53) CNR1KMT2ANPC1ALDH1A1HTT
SCHEMBL4171938 0.77 GOT1 (0.66) MTNR1AMTNR1BKMT2ANPC1ALDH1A1
SCHEMBL4169130 0.76 MTNR1A (0.55) CNR1MTNR1AMTNR1BKMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090182020-A1 SUBSTITUTED BIS(HETERO)AROMATIC N--ETHYLPROPIOLAMIDES AND USE THEREOF FOR PRODUCTION OF MEDICAMENTS GRUNENTHAL GMBH (DE) 2009-07-16 US claimed
EP-1968935-A1 SUBSTITUTED BIS(HETERO)AROMATIC N-ETHYLPROPIOLAMIDES AND USE THEREOF FOR PRODUCTION OF MEDICAMENTS Grünenthal GmbH (DE) 2008-09-17 EP claimed
WO-2007079958-A1 SUBSTITUTED BIS(HETERO)AROMATIC N-ETHYLPROPIOLAMIDES AND USE THEREOF FOR PRODUCTION OF MEDICAMENTS Grünenthal GmbH (DE) 2007-07-19 WO claimed
US-20090182020-A1 SUBSTITUTED BIS(HETERO)AROMATIC N--ETHYLPROPIOLAMIDES AND USE THEREOF FOR PRODUCTION OF MEDICAMENTS GRUNENTHAL GMBH (DE) 2009-07-16 US disclosed
EP-1968935-A1 SUBSTITUTED BIS(HETERO)AROMATIC N-ETHYLPROPIOLAMIDES AND USE THEREOF FOR PRODUCTION OF MEDICAMENTS Grünenthal GmbH (DE) 2008-09-17 EP disclosed
WO-2007079958-A1 SUBSTITUTED BIS(HETERO)AROMATIC N-ETHYLPROPIOLAMIDES AND USE THEREOF FOR PRODUCTION OF MEDICAMENTS Grünenthal GmbH (DE) 2007-07-19 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-20090182020-A1 SUBSTITUTED BIS(HETERO)AROMATIC N--ETHYLPROPIOLAMIDES AND USE THEREOF FOR PRODUCTION OF MEDICAMENTS FHIT, CYP3A43, DNPEP CNR1 396/4885MTNR1A 2154/4885MTNR1B 1840/4885

“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.