SCHEMBL4177590

SCHEMBL4177590

O=C(C#Cc1ccccc1C(F)(F)F)NCCc1c[nH]c2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.67
TRPV1 Q8NER1 2/20 0.57
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
ALDH1A1 P00352 2/20 0.55
USP2 O75604 1/20 0.55
GOT1 P17174 2/20 0.54
TSHR P16473 2/20 0.54
LMNA P02545 1/20 0.54
CYP1A2 P05177 1/20 0.54
PKM P14618 1/20 0.54
CYP2C19 P33261 1/20 0.54
BLM P54132 1/20 0.54
MMP9 P14780 1/20 0.52
AANAT Q16613 1/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
MTNR1A P48039 1/20 0.51
SIRT1 Q96EB6 1/20 0.51
KDM4E B2RXH2 1/20 0.51

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 0.86 MEN1 (0.57) MEN1KMT2AALDH1A1USP2TSHR
SCHEMBL4173493 0.84 MAPT (0.64) MAPTMEN1KMT2AALDH1A1TSHR
SCHEMBL4181459 0.84 MEN1 (0.57) MAPTMEN1KMT2ATSHRLMNA
SCHEMBL19823623 0.81 MEN1 (0.63) MAPTMEN1KMT2AALDH1A1GOT1
SCHEMBL4188968 0.80 NPC1 (0.66) MEN1KMT2ATSHRLMNACYP1A2
SCHEMBL4164322 0.78 NPC1 (0.66) MAPTMEN1KMT2AALDH1A1TSHR
SCHEMBL4171938 0.78 GOT1 (0.66) MAPTMEN1KMT2AALDH1A1GOT1
SCHEMBL4170481 0.77 SIRT1 (0.66) MAPTMEN1KMT2AALDH1A1TSHR
SCHEMBL4185839 0.77 CDK4 (0.66) MAPTTRPV1MEN1KMT2AALDH1A1
SCHEMBL4177872 0.76 MEN1 (0.58) MEN1KMT2AGOT1TSHRLMNA

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 MAPT 2674/4885TRPV1 1259/4885MEN1 3427/4885

“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.