SCHEMBL4181870

SCHEMBL4181870

O=C(C#Cc1ccc(Cl)cc1Cl)NCC(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.48
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
HDAC8 Q9BY41 3/20 0.42
CNR1 P21554 2/20 0.41
GPR139 Q6DWJ6 1/20 0.41
S1PR3 Q99500 1/20 0.41
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
UTS2R Q9UKP6 1/20 0.39
CNR2 P34972 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
CRHBP P24387 1/20 0.39
MAPK1 P28482 1/20 0.39
CRHR2 Q13324 1/20 0.39
TACR1 P25103 1/20 0.39
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL4166970 0.80 TACR1 (0.47) P2RX7CNR1GPR139UTS2RCNR2
SCHEMBL4178905 0.77 MME (0.45) TACR1SMN1; SMN2
SCHEMBL4181930 0.76 NPC1 (0.46) CNR1UTS2RCNR2LMNATACR1
SCHEMBL4179336 0.76 TP53 (0.41) CNR1CNR2LMNATACR1TP53
SCHEMBL4177405 0.76 MME (0.41) CNR1CNR2LMNATACR1SMN1; SMN2
SCHEMBL4171364 0.73 CNR1 (0.53) CNR1LMNAMAPTHPGDMAPK1
SCHEMBL4185964 0.73 FFAR1 (0.42) P2RX7CNR1UTS2RCNR2LMNA
SCHEMBL4185998 0.72 CNR1 (0.53) CNR1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL3859297 0.72 TSHR (0.47) MAPTMAPK1TP53SMN1; SMN2
SCHEMBL4170485 0.72 CTSB (0.42) CNR1UTS2RCNR2LMNATACR1

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 P2RX7 641/4885TAS1R3 3813/4885TAS1R1 4491/4885

“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.