SCHEMBL4182135

SCHEMBL4182135

O=C(C#Cc1cccs1)NCCc1ccc(Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.60
RAB9A P51151 4/20 0.60
MAPT P10636 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
L3MBTL1 Q9Y468 1/20 0.48
FFAR1 O14842 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
TP53 P04637 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
CNR1 P21554 1/20 0.46
LMNA P02545 2/20 0.45
ALDH1A1 P00352 1/20 0.45
PLAAT3 P53816 1/20 0.45
PLAAT5 Q96KN8 1/20 0.45
PLAAT2 Q9NWW9 1/20 0.45
PLAAT4 Q9UL19 1/20 0.45
POLB P06746 2/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL4181737 0.88 NPC1 (0.57) NPC1RAB9AMAPTSMN1; SMN2L3MBTL1
SCHEMBL4181940 0.87 NPC1 (0.47) NPC1RAB9AMAPTSMN1; SMN2FFAR1
SCHEMBL4181355 0.86 PYGL (0.49) NPC1RAB9AMAPTSMN1; SMN2L3MBTL1
SCHEMBL4181746 0.86 SMN1; SMN2 (0.62) NPC1RAB9AMAPTSMN1; SMN2TAAR1
SCHEMBL4171878 0.81 NPC1 (0.56) NPC1RAB9AMAPTSMN1; SMN2TAAR1
SCHEMBL4176072 0.80 LMNA (0.55) NPC1RAB9AMAPTSMN1; SMN2L3MBTL1
SCHEMBL4169211 0.75 CNR1 (0.58) NPC1RAB9AMAPTSMN1; SMN2L3MBTL1
SCHEMBL4170433 0.74 NTRK3 (0.49) NPC1RAB9ASMN1; SMN2L3MBTL1CNR1
SCHEMBL4175976 0.73 CNR1 (0.58) NPC1RAB9AMAPTL3MBTL1FFAR1
SCHEMBL4175187 0.73 ALDH1A1 (0.58) NPC1RAB9AMAPTSMN1; SMN2L3MBTL1

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 4846/4885MAPT 2674/4885

“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.