SCHEMBL4172837

SCHEMBL4172837

O=C(C#Cc1ccc(C(F)(F)F)cc1)NCCc1cccc(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.51
CNR1 P21554 3/20 0.49
ALDH1A1 P00352 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
HPGD P15428 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
HTT P42858 1/20 0.47
TAAR1 Q96RJ0 1/20 0.46
PYGL P06737 1/20 0.46
PLAAT3 P53816 2/20 0.46
PLAAT5 Q96KN8 2/20 0.46
PLAAT2 Q9NWW9 2/20 0.46
PLAAT4 Q9UL19 2/20 0.46
GAA P10253 1/20 0.43
FFAR2 O15552 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
SCHEMBL4174195 0.89 CNR1 (0.50) TRPV1CNR1KMT2AMEN1NPC1
SCHEMBL4174399 0.88 CNR1 (0.56) TRPV1CNR1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL4182330 0.87 ALDH1A1 (0.52) TRPV1CNR1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL4181644 0.86 PLAAT3 (0.57) CNR1NPC1RAB9APLAAT3PLAAT5
SCHEMBL4173101 0.86 ALDH1A1 (0.61) CNR1ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL4171355 0.85 PYGL (0.56) TRPV1CNR1PYGLPLAAT3PLAAT5
SCHEMBL4178880 0.85 ALDH1A1 (0.51) CNR1ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL4179866 0.84 ALDH1A1 (0.56) CNR1ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL4181881 0.83 ALDH1A1 (0.54) CNR1ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL4164408 0.81 PYGL (0.48) CNR1ALDH1A1SMN1; SMN2KMT2AMEN1

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 8 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-1072326-A2 Surface active photoinitiator Ciba SC Holding AG (CH) 2001-01-31 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 TRPV1 1259/4885CNR1 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.