SCHEMBL4118599

SCHEMBL4118599

C(#Cc1ccccc1)CN1Cc2ccccc2C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
RAB9A P51151 2/20 0.50
MAPK1 P28482 1/20 0.50
HRH3 Q9Y5N1 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
THPO P40225 1/20 0.45
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2B Q13224 1/20 0.42
APP P05067 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL4116702 0.88 LMNA (0.48) LMNARAB9AMAPK1HRH3KDM4E
SCHEMBL14485306 0.78 LMNA (0.81) LMNARAB9AMAPK1HRH3GRIN1
SCHEMBL15936472 0.78 RYR2 (0.46) LMNARAB9AMAPK1HRH3GRIN1
SCHEMBL4124253 0.77 GRM5 (0.47) LMNARAB9AMAPK1HRH3KDM4E
SCHEMBL5730065 0.77 LMNA (0.78) LMNARAB9AMAPK1HRH3GRIN1
SCHEMBL4105989 0.76 HTR5A (0.54) LMNAMAPK1CYP1A2CYP3A4CYP2C19
SCHEMBL3634873 0.74 LMNA (0.56) LMNARAB9AMAPK1HRH3GRIN1
SCHEMBL3251635 0.74 LMNA (0.56) LMNARAB9AMAPK1HRH3CYP1A2
SCHEMBL4123560 0.73 GRIN2B (0.53) KDM4EGRIN2B
SCHEMBL4112009 0.73 PRMT5 (0.49) MAPK1

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 LMNA 2581/4885RAB9A 4520/4885MAPK1 3641/4885

“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.