SCHEMBL20150076

SCHEMBL20150076

Cc1ccc(CN2CCNCC2)c(N[C@@H](C)C(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
CHRM3 P20309 1/20 0.39
ALDH1A1 P00352 3/20 0.38
GAA P10253 2/20 0.38
MGLL Q99685 1/20 0.38
CXCR4 P61073 1/20 0.38
GRIN2B Q13224 1/20 0.38
KDM4E B2RXH2 3/20 0.38
KDM5C P41229 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
TP53 P04637 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
CYP1A2 P05177 1/20 0.37
CHRM2 P08172 1/20 0.37
SLC6A4 P31645 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
MAPT P10636 1/20 0.36
APOBEC3A P31941 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
SCHEMBL20177976 0.84 MGLL (0.54) CHRM3MGLLSLC6A4MEN1KMT2A
SCHEMBL20155526 0.84 MGLL (0.54) CHRM3MGLLSLC6A4MEN1KMT2A
Hydrochloric Acid SCHEMBL29531222 0.83 MGLL (0.53) CHRM3MGLLSLC6A4MEN1KMT2A
Hydrochloric Acid SCHEMBL20137395 0.83 MGLL (0.53) CHRM3MGLLSLC6A4MEN1KMT2A
SCHEMBL20150073 0.81 LMNA (0.45) LMNACHRM3ALDH1A1GAACXCR4
SCHEMBL20150075 0.79 MGLL (0.47) CHRM3ALDH1A1MGLLGRIN2BTP53
SCHEMBL22542156 0.78 LMNA (0.49) LMNACHRM3CXCR4CYP1A2CHRM2
SCHEMBL20150051 0.77 MGLL (0.64) MGLL
SCHEMBL20150045 0.77 MGLL (0.54) MGLL
SCHEMBL20150061 0.77 MGLL (0.54) MGLL

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9981930-B1 MAGL inhibitors ABIDE THERAPEUTICS, INC. (US) 2018-05-29 US disclosed
US-20180134675-A1 MAGL INHIBITORS H. LUNDBECK A/S (DK) 2018-05-17 US 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-20180134675-A1 MAGL INHIBITORS MAG, MAGI3, MGLL LMNA 3432/4885CHRM3 1801/4885ALDH1A1 4349/4885

“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.