SCHEMBL4183591

SCHEMBL4183591

CN(CCc1ccccc1)C(=O)C#Cc1ccccc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.51
MLYCD O95822 2/20 0.47
TACR1 P25103 2/20 0.41
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
LTB4R Q15722 4/20 0.39
LTB4R2 Q9NPC1 4/20 0.39
NPY5R Q15761 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
FDPS P14324 1/20 0.38
POLQ O75417 1/20 0.38
KMT2A Q03164 1/20 0.38
ABCC1 P33527 1/20 0.38

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
SCHEMBL4176177 0.84 FFAR1 (0.50) FFAR1MLYCDPOLBGAAPTGDR2
SCHEMBL4171608 0.84 CDK8 (0.47) KMT2A
SCHEMBL4174272 0.83 MLYCD (0.44) MLYCDLTB4RLTB4R2NPY5RKMT2A
SCHEMBL4174498 0.82 FFAR1 (0.49) FFAR1MLYCDLTB4RLTB4R2NPY5R
SCHEMBL4169203 0.81 MLYCD (0.41) MLYCDPOLBLTB4RLTB4R2NPY5R
SCHEMBL4174373 0.77 FFAR1 (0.54) FFAR1MLYCDTACR1LTB4RLTB4R2
SCHEMBL4180669 0.77 MME (0.42) FFAR1MLYCDPOLBGAALTB4R
SCHEMBL4175056 0.75 LTB4R (0.41) FFAR1MLYCDGAALTB4RLTB4R2
SCHEMBL4174494 0.74 MEN1 (0.46) FFAR1MLYCDLTB4RLTB4R2KMT2A
SCHEMBL4189140 0.74 NPSR1 (0.50) FFAR1MLYCDLTB4RLTB4R2NPY5R

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 FFAR1 4316/4885MLYCD 1685/4885TACR1 2949/4885

“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.