SCHEMBL4174272

SCHEMBL4174272

CN(CCc1ccccc1)C(=O)C#Cc1ccccc1F

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 2/20 0.44
LTB4R Q15722 4/20 0.41
LTB4R2 Q9NPC1 4/20 0.41
NPY5R Q15761 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
ABCC1 P33527 1/20 0.40
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MME P08473 1/20 0.39
ECE1 P42892 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
AOC3 Q16853 1/20 0.38
ACKR3 P25106 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
SCHEMBL4180669 0.87 MME (0.42) MLYCDLTB4RLTB4R2TAAR1MME
SCHEMBL4174498 0.85 FFAR1 (0.49) MLYCDLTB4RLTB4R2NPY5RTAAR1
SCHEMBL4169203 0.84 MLYCD (0.41) MLYCDLTB4RLTB4R2NPY5RTAAR1
SCHEMBL4183591 0.83 FFAR1 (0.51) MLYCDLTB4RLTB4R2NPY5RABCC1
SCHEMBL4168326 0.83 TDP1 (0.47) KMT2AKDM4EALDH1A1MMEECE1
SCHEMBL4175597 0.79 NPSR1 (0.40) MLYCDLTB4RLTB4R2NPY5RNPSR1
SCHEMBL4175056 0.78 LTB4R (0.41) MLYCDLTB4RLTB4R2NPY5RKDM4E
SCHEMBL4174494 0.77 MEN1 (0.46) MLYCDLTB4RLTB4R2KMT2A
SCHEMBL4189140 0.77 NPSR1 (0.50) MLYCDLTB4RLTB4R2NPY5RTAAR1
SCHEMBL4186373 0.74 FFAR1 (0.52) LTB4RLTB4R2TAAR1NPSR1

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 MLYCD 1685/4885LTB4R 3185/4885LTB4R2 2285/4885

“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.