SCHEMBL4181935

SCHEMBL4181935

Cc1ccc(CCNC(=O)C#Cc2ccccc2C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAAT3 P53816 2/20 0.49
PLAAT5 Q96KN8 2/20 0.49
PLAAT2 Q9NWW9 2/20 0.49
PLAAT4 Q9UL19 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
FFAR1 O14842 1/20 0.48
CHRM2 P08172 1/20 0.48
S1PR1 P21453 1/20 0.48
FPR1 P21462 1/20 0.48
FPR3 P25089 1/20 0.48
GPR183 P32249 1/20 0.48
APLNR P35414 1/20 0.48
FFAR4 Q5NUL3 1/20 0.48
GPR65 Q8IYL9 1/20 0.48
KMT2A Q03164 1/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
EPHX2 P34913 1/20 0.45
MMP8 P22894 2/20 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
SCHEMBL4175301 0.91 FFAR1 (0.51) PLAAT3PLAAT5PLAAT2PLAAT4NPC1
SCHEMBL4166987 0.90 PLAAT3 (0.47) PLAAT3PLAAT5PLAAT2PLAAT4NPC1
SCHEMBL4175337 0.87 PLAAT3 (0.47) PLAAT3PLAAT5PLAAT2PLAAT4NPC1
SCHEMBL4185037 0.85 FFAR1 (0.51) PLAAT3PLAAT5PLAAT2PLAAT4NPC1
SCHEMBL4177905 0.84 NPC1 (0.53) PLAAT3PLAAT5PLAAT2PLAAT4NPC1
SCHEMBL4181732 0.84 PLAAT3 (0.49) PLAAT3PLAAT5PLAAT2PLAAT4FFAR1
SCHEMBL4164307 0.83 NPC1 (0.55) PLAAT3PLAAT5PLAAT2PLAAT4NPC1
SCHEMBL4173470 0.82 FFAR1 (0.48) PLAAT3PLAAT5PLAAT2PLAAT4NPC1
SCHEMBL4188513 0.81 FFAR1 (0.54) PLAAT3PLAAT5PLAAT2PLAAT4NPC1
SCHEMBL4174123 0.81 ALDH1A1 (0.53) PLAAT3PLAAT5PLAAT2PLAAT4NPC1

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 16 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
EP-1072326-B1 Surface active photoinitiator CIBA HOLDING INC (CH) 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
EP-0775706-B1 Borates photoinitiators from polyboranes CIBA SC HOLDING AG (CH) 2002-06-05 EP disclosed
EP-1203999-A2 Photoinitiator comprising a borane and an electron donating compound Ciba SC Holding AG (CH) 2002-05-08 EP disclosed
EP-1072326-A2 Surface active photoinitiator Ciba SC Holding AG (CH) 2001-01-31 EP disclosed
EP-0670323-B1 Dimeric bisacylphosphines, bisacylphosphine oxides and bisacylphosphine sulfides CIBA SC HOLDING AG (CH) 2000-06-28 EP disclosed
EP-0565488-B1 Fluorine free titanocenes and their application CIBA GEIGY AG (CH) 1999-04-21 EP disclosed
EP-0775706-A2 Borates photoinitiators from polyboranes Ciba SC Holding AG (CH) 1997-05-28 EP disclosed
EP-0670323-A1 Dimeric bisacylphosphines, bisacylphosphine oxides and bisacylphosphine sulfides CIBA-GEIGY AG (CH) 1995-09-06 EP disclosed
EP-0615980-A2 Curing of compositions containing Bisacylphosphinoxide CIBA-GEIGY AG (CH) 1994-09-21 EP disclosed
EP-0565488-A1 Fluorine free titanocenes and their application CIBA-GEIGY AG (CH) 1993-10-13 EP 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 PLAAT3 2664/4885PLAAT5 2707/4885PLAAT2 2933/4885

“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.