SCHEMBL4185154

SCHEMBL4185154

O=C(C#Cc1ccc(F)cc1F)N(CCc1ccccc1)Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.43
ECE1 P42892 3/20 0.43
LPAR1 Q92633 3/20 0.43
LPAR5 Q9H1C0 2/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 2/20 0.43
GAA P10253 2/20 0.43
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA4 P22748 3/20 0.41
RAB9A P51151 3/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
KMT2A Q03164 1/20 0.39
RCE1 Q9Y256 1/20 0.39

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
SCHEMBL4168326 0.88 TDP1 (0.47) MMEECE1LPAR1LPAR5KDM4E
SCHEMBL4180669 0.84 MME (0.42) MMEECE1GAARAB9APOLB
SCHEMBL4174078 0.83 KDM4E (0.48) LPAR1LPAR5KDM4ELMNAGAA
SCHEMBL4178965 0.79 LPAR1 (0.43) LPAR1LPAR5RAB9APOLBTDP1
SCHEMBL4181824 0.78 NPSR1 (0.50) KDM4ELMNAGAACA12CA1
SCHEMBL4176177 0.77 FFAR1 (0.50) LPAR1LPAR5KDM4ELMNAGAA
SCHEMBL4164318 0.75 FFAR1 (0.48) LPAR1LPAR5KDM4ELMNAGAA
SCHEMBL4167118 0.74 C5AR1 (0.46) LPAR1LPAR5KDM4ELMNAGAA
SCHEMBL4180153 0.74 MME (0.59) MMEECE1LMNARAB9APOLB
SCHEMBL4176170 0.73 FFAR1 (0.47) LPAR1LPAR5KDM4ELMNAGAA

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 MME 24/4885ECE1 166/4885LPAR1 4679/4885

“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.