SCHEMBL4182330

SCHEMBL4182330

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
SMN1; SMN2 Q16637 4/20 0.51
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
HPGD P15428 1/20 0.51
CNR1 P21554 2/20 0.49
TAAR1 Q96RJ0 1/20 0.49
PYGL P06737 1/20 0.49
PLAAT3 P53816 2/20 0.48
PLAAT5 Q96KN8 2/20 0.48
PLAAT2 Q9NWW9 2/20 0.48
PLAAT4 Q9UL19 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
HTT P42858 1/20 0.47
TRPV1 Q8NER1 1/20 0.46

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
SCHEMBL4173101 0.89 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2KMT2AMEN1HPGD
SCHEMBL4178880 0.88 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2KMT2AMEN1HPGD
SCHEMBL4186379 0.88 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2KMT2AMEN1HPGD
SCHEMBL4179866 0.87 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2KMT2AMEN1HPGD
SCHEMBL4172837 0.87 TRPV1 (0.51) ALDH1A1SMN1; SMN2KMT2AMEN1HPGD
SCHEMBL4183641 0.87 CNR1 (0.54) ALDH1A1SMN1; SMN2KMT2AMEN1HPGD
SCHEMBL4164408 0.86 PYGL (0.48) ALDH1A1SMN1; SMN2KMT2AMEN1HPGD
SCHEMBL4181881 0.86 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2KMT2AMEN1HPGD
SCHEMBL4182119 0.85 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2KMT2AMEN1HPGD
SCHEMBL4169211 0.85 CNR1 (0.58) SMN1; SMN2HPGDCNR1TAAR1PYGL

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 ALDH1A1 2932/4885SMN1; SMN2 4869/4885KMT2A 2691/4885

“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.