SCHEMBL4122872

SCHEMBL4122872

Clc1cccc(C#CCN2CCc3ccccc3CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
PRMT5 O14744 2/20 0.42
WDR77 Q9BQA1 2/20 0.42
RAB9A P51151 2/20 0.41
MAPK1 P28482 1/20 0.41
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CYP2D6 P10635 1/20 0.39
DRD2 P14416 1/20 0.39
GRM5 P41594 2/20 0.39
SIGMAR1 Q99720 1/20 0.39
CYP3A4 P08684 1/20 0.39
GRIN1 Q05586 1/20 0.38
KCNH2 Q12809 1/20 0.38
NPC1 O15118 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 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
SCHEMBL4111986 0.93 PRMT5 (0.47) LMNAPRMT5WDR77RAB9AMAPK1
SCHEMBL4124901 0.85 DRD2 (0.41) LMNAPRMT5WDR77RAB9ACHRM2
SCHEMBL4118261 0.83 DRD2 (0.41) PRMT5WDR77CHRM2CHRM1DRD2
SCHEMBL4112824 0.82 GRM5 (0.40) PRMT5WDR77CHRM2CHRM1CYP2D6
SCHEMBL4124852 0.82 POLB (0.39) PRMT5WDR77MAPK1CHRM2CHRM1
SCHEMBL4111106 0.82 DHCR7 (0.42) PRMT5WDR77CHRM2CHRM1DRD2
SCHEMBL5710782 0.81 SLC6A4 (0.50) LMNACHRM2CHRM1CYP2D6DRD2
SCHEMBL4113275 0.81 DRD2 (0.41) PRMT5WDR77CHRM2CHRM1DRD2
SCHEMBL4117524 0.80 KMT2A (0.49) DRD2
SCHEMBL4113929 0.80 GRM5 (0.38) PRMT5WDR77CHRM2CHRM1CYP2D6

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 4 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
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 LMNA 2581/4885PRMT5 2826/4885WDR77 3804/4885

“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.