SCHEMBL4177475

SCHEMBL4177475

COc1ccccc1CCNC(=O)C#Cc1cccc(C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.55
MTNR1B P49286 1/20 0.55
HPGD P15428 2/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA5A P35218 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
CNR1 P21554 1/20 0.46
MEN1 O00255 3/20 0.46
MAPT P10636 1/20 0.46
IDO1 P14902 1/20 0.45
TDO2 P48775 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
SCHEMBL4181127 0.92 MTNR1A (0.56) MTNR1AMTNR1BHPGDCA12CA1
SCHEMBL4186381 0.89 MTNR1A (0.62) MTNR1AMTNR1BHPGDCA12CA1
SCHEMBL4169130 0.88 MTNR1A (0.55) MTNR1AMTNR1BHPGDKMT2AALDH1A1
SCHEMBL4181662 0.87 MTNR1A (0.54) MTNR1AMTNR1BHPGDCA12CA1
SCHEMBL4186417 0.87 MTNR1A (0.54) MTNR1AMTNR1BHPGDCA12CA1
SCHEMBL4170494 0.84 MTNR1A (0.55) MTNR1AMTNR1BHPGDCA12CA1
SCHEMBL4171613 0.83 MTNR1A (0.52) MTNR1AMTNR1BHPGDCA12CA1
SCHEMBL4188618 0.82 NPC1 (0.58) HPGDKMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL4180401 0.81 MTNR1A (0.54) MTNR1AMTNR1BHPGDCA12CA1
SCHEMBL4179353 0.80 MTNR1A (0.53) MTNR1AMTNR1BHPGDCA12CA1

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 MTNR1A 2154/4885MTNR1B 1840/4885HPGD 381/4885

“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.