SCHEMBL4124852

SCHEMBL4124852

Cc1ccc2c(c1)CN(CC#Cc1cccc(Cl)c1)CC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
GRM5 P41594 4/20 0.38
CYP3A4 P08684 1/20 0.38
ASIC3 Q9UHC3 2/20 0.38
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
PRMT5 O14744 2/20 0.36
WDR77 Q9BQA1 2/20 0.36
CYP2D6 P10635 1/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36

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
SCHEMBL4115924 0.95 POLB (0.39) POLBGRM5CYP3A4CHRM2CHRM1
SCHEMBL4118261 0.87 DRD2 (0.41) GRM5CYP3A4ASIC3CHRM2CHRM1
SCHEMBL4111986 0.87 PRMT5 (0.47) POLBPRMT5WDR77DRD2DRD3
SCHEMBL4123258 0.85 KDM4E (0.45) CHRM2DRD3SLC6A3
SCHEMBL4117524 0.84 KMT2A (0.49) DRD2DRD3KMT2AALDH1A1
SCHEMBL4111106 0.83 DHCR7 (0.42) GRM5CYP3A4CHRM2CHRM1PRMT5
SCHEMBL4122872 0.82 LMNA (0.42) GRM5CYP3A4CHRM2CHRM1PRMT5
SCHEMBL4105536 0.82 MEN1 (0.44) POLBPRMT5WDR77MEN1KMT2A
SCHEMBL4113929 0.81 GRM5 (0.38) GRM5CYP3A4CHRM2CHRM1PRMT5
SCHEMBL4112824 0.81 GRM5 (0.40) GRM5CYP3A4CHRM2CHRM1PRMT5

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-20090075978-A1 SUBSTITUTED PROPIOLIC ACID AMIDES AND THEIR USE FOR PRODUCING DRUGS GRUNENTHAL GMBH (DE) 2009-03-19 US claimed
EP-1968938-A1 SUBSTITUTED PROPIOLIC ACID AMIDES AND THEIR USE FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2008-09-17 EP claimed
WO-2007079957-A1 SUBSTITUTED PROPIOLIC ACID AMIDES AND THEIR USE FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2007-07-19 WO claimed
US-20090075978-A1 SUBSTITUTED PROPIOLIC ACID AMIDES AND THEIR USE FOR PRODUCING DRUGS GRUNENTHAL GMBH (DE) 2009-03-19 US disclosed
EP-1968938-A1 SUBSTITUTED PROPIOLIC ACID AMIDES AND THEIR USE FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2008-09-17 EP disclosed
WO-2007079957-A1 SUBSTITUTED PROPIOLIC ACID AMIDES AND THEIR USE FOR PRODUCING DRUGS 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-20090075978-A1 SUBSTITUTED PROPIOLIC ACID AMIDES AND THEIR USE FOR PRODUCING DRUGS PCCA, PPARA, PTGES POLB 2628/4885GRM5 866/4885CYP3A4 328/4885

“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.