SCHEMBL4185879

SCHEMBL4185879

Cc1ccc(CCNC(=O)C#Cc2cccc(Cl)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYGL P06737 1/20 0.49
CNR1 P21554 2/20 0.47
ALDH1A1 P00352 3/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.46
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
POLB P06746 1/20 0.43
PLAAT3 P53816 2/20 0.43
PLAAT5 Q96KN8 2/20 0.43
PLAAT2 Q9NWW9 2/20 0.43
PLAAT4 Q9UL19 2/20 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
SCHEMBL4170422 0.89 CNR1 (0.54) PYGLCNR1ALDH1A1KMT2AMEN1
SCHEMBL4174070 0.89 KMT2A (0.55) PYGLALDH1A1KMT2AMEN1MAPT
SCHEMBL4164309 0.89 CNR1 (0.50) PYGLCNR1ALDH1A1KMT2AMAPT
SCHEMBL4171249 0.89 FFAR1 (0.53) PYGLALDH1A1MAPTLMNANPC1
SCHEMBL4175187 0.88 ALDH1A1 (0.58) PYGLCNR1ALDH1A1KMT2AMEN1
SCHEMBL4178880 0.88 ALDH1A1 (0.51) PYGLCNR1ALDH1A1KMT2AMEN1
SCHEMBL4186379 0.88 ALDH1A1 (0.52) PYGLCNR1ALDH1A1KMT2AMEN1
SCHEMBL4179866 0.87 ALDH1A1 (0.56) PYGLCNR1ALDH1A1KMT2AMEN1
SCHEMBL4181916 0.87 CNR1 (0.51) PYGLCNR1ALDH1A1KMT2AMEN1
SCHEMBL4175901 0.85 PYGL (0.49) PYGLALDH1A1KMT2AMEN1MAPT

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 PYGL 422/4885CNR1 396/4885ALDH1A1 2932/4885

“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.