SCHEMBL4188968

SCHEMBL4188968

O=C(C#Cc1ccc(F)cc1F)NCCc1c[nH]c2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.66
RAB9A P51151 2/20 0.66
SIRT1 Q96EB6 1/20 0.58
CDK4 P11802 3/20 0.55
CCND1 P24385 3/20 0.55
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53
PKM P14618 1/20 0.53
TSHR P16473 1/20 0.53
CYP2C19 P33261 1/20 0.53
BLM P54132 1/20 0.53
NOTUM Q6P988 2/20 0.52
MTNR1A P48039 1/20 0.52
MTNR1B P49286 1/20 0.52
PTGS2 P35354 2/20 0.52
MMP9 P14780 1/20 0.51
AANAT Q16613 1/20 0.51
MGAM O43451 1/20 0.50

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
SCHEMBL4177959 0.89 MEN1 (0.57) NPC1RAB9ASIRT1CDK4CCND1
SCHEMBL4164322 0.81 NPC1 (0.66) NPC1RAB9ASIRT1CDK4CCND1
SCHEMBL4171938 0.81 GOT1 (0.66) NPC1RAB9ASIRT1MEN1KMT2A
SCHEMBL4181459 0.81 MEN1 (0.57) NPC1RAB9ASIRT1MEN1KMT2A
SCHEMBL4173493 0.81 MAPT (0.64) NPC1RAB9ASIRT1CDK4CCND1
SCHEMBL4177590 0.80 MAPT (0.67) NPC1RAB9ASIRT1MEN1KMT2A
SCHEMBL19823623 0.80 MEN1 (0.63) NPC1RAB9ASIRT1CDK4CCND1
SCHEMBL4185176 0.80 MAPT (0.54) NPC1RAB9ASIRT1MEN1KMT2A
SCHEMBL4180153 0.79 MME (0.59) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL4175914 0.78 MTNR1A (0.53) NPC1RAB9AMEN1KMT2AMTNR1A

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 NPC1 2016/4885RAB9A 4846/4885SIRT1 3283/4885

“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.