SCHEMBL4166970

SCHEMBL4166970

O=C(C#Cc1cc(Cl)cc(Cl)c1)NCC(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 4/20 0.47
ALDH1A1 P00352 4/20 0.43
P2RX7 Q99572 2/20 0.43
KDM4E B2RXH2 1/20 0.43
PYGL P06737 1/20 0.42
UTS2R Q9UKP6 1/20 0.41
CNR1 P21554 2/20 0.41
GAA P10253 1/20 0.40
GPR139 Q6DWJ6 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
CNR2 P34972 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
SCHEMBL4181930 0.85 NPC1 (0.46) TACR1UTS2RCNR1CNR2
SCHEMBL4170485 0.83 CTSB (0.42) TACR1KDM4EUTS2RCNR1CNR2
SCHEMBL4181870 0.80 P2RX7 (0.48) TACR1P2RX7UTS2RCNR1GPR139
SCHEMBL4175314 0.79 GFER (0.45) TACR1P2RX7
SCHEMBL4185818 0.79 UTS2R (0.51) ALDH1A1UTS2RCNR1CNR2
SCHEMBL4173488 0.78 GPR139 (0.45) TACR1CNR1GPR139SMN1; SMN2CNR2
SCHEMBL4179271 0.78 FFAR1 (0.44) TACR1UTS2RCNR1GPR139CNR2
SCHEMBL4185062 0.78 NPC1 (0.39) TACR1PYGLUTS2R
SCHEMBL4168536 0.78 NPC1 (0.48) ALDH1A1KDM4EPYGLCNR1SMN1; SMN2
SCHEMBL4181905 0.76 ERCC1 (0.39) TACR1ALDH1A1KDM4EPYGLUTS2R

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 TACR1 2949/4885ALDH1A1 2932/4885P2RX7 641/4885

“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.