SCHEMBL4174489

SCHEMBL4174489

COc1cccc(C#CC(=O)NCCc2ccc(F)cc2)c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.60
FFAR1 O14842 1/20 0.53
FPR2 P25090 1/20 0.50
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
VCP P55072 1/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
ALOX5 P09917 1/20 0.46
EPHX2 P34913 1/20 0.46
PTPN1 P18031 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
SCHEMBL4188321 0.90 FFAR1 (0.54) TDP1FFAR1HTTMTNR1AMTNR1B
SCHEMBL4175962 0.90 FFAR1 (0.56) FFAR1HTTMTNR1AMTNR1BRAB9A
SCHEMBL4182409 0.89 HTT (0.60) TDP1FFAR1FPR2HTTMTNR1A
SCHEMBL4178456 0.83 MEN1 (0.61) HTTSMN1; SMN2MTNR1AMTNR1BRAB9A
SCHEMBL4169130 0.83 MTNR1A (0.55) HTTSMN1; SMN2MTNR1AMTNR1BRAB9A
SCHEMBL4186379 0.82 ALDH1A1 (0.52) TDP1HTTSMN1; SMN2RAB9AALDH1A1
SCHEMBL21449677 0.82 RAB9A (0.57) FFAR1MTNR1AMTNR1BVCPRAB9A
SCHEMBL4174490 0.82 FFAR1 (0.50) TDP1FFAR1SMN1; SMN2RAB9AALOX5
SCHEMBL4178343 0.81 RAB9A (0.55) FFAR1RAB9AALDH1A1POLBEPHX2
SCHEMBL4174162 0.80 FFAR1 (0.54) FFAR1SMN1; SMN2RAB9AALDH1A1POLB

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 TDP1 3037/4885FFAR1 4316/4885FPR2 519/4885

“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.