SCHEMBL4117658

SCHEMBL4117658

Clc1cccc(C#CCN2CCn3ccnc3C2)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.37
CHRM1 P11229 2/20 0.37
P2RX7 Q99572 1/20 0.35
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
CYP2D6 P10635 1/20 0.34
GRM5 P41594 4/20 0.34
ADORA3 P0DMS8 2/20 0.34
LMNA P02545 3/20 0.33
MAPK1 P28482 2/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PDE7B Q9NP56 1/20 0.33
RAB9A P51151 1/20 0.33
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL4118625 0.80 CHRM2 (0.39) CHRM2CHRM1HRH3CYP2D6GRM5
SCHEMBL4117660 0.75 P2RX7 (0.47) P2RX7GRM5ADORA3
SCHEMBL4111986 0.72 PRMT5 (0.47) HRH1LMNAMAPK1RAB9A
SCHEMBL3160433 0.71 GRM5 (0.40) CHRM2CHRM1HRH2HRH1HRH3
SCHEMBL5710782 0.71 SLC6A4 (0.50) CHRM2CHRM1CYP2D6LMNAHTT
SCHEMBL4124901 0.70 DRD2 (0.41) CHRM2CHRM1HRH1HRH3LMNA
SCHEMBL4113929 0.70 GRM5 (0.38) CHRM2CHRM1HRH1CYP2D6GRM5
SCHEMBL4122872 0.70 LMNA (0.42) CHRM2CHRM1CYP2D6GRM5LMNA
SCHEMBL27675025 0.69 RAB9A (0.56) GRM5LMNAMAPK1SMN1; SMN2RAB9A
SCHEMBL4111106 0.69 DHCR7 (0.42) CHRM2CHRM1GRM5

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 CHRM2 948/4885CHRM1 1470/4885P2RX7 807/4885

“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.