SCHEMBL20150073

SCHEMBL20150073

Cc1ccc(CN2CCNCC2)c(NCC(=O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
APOBEC3A P31941 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
CHRM3 P20309 1/20 0.40
ALDH1A1 P00352 3/20 0.39
GAA P10253 2/20 0.39
CXCR4 P61073 1/20 0.39
GRIN2B Q13224 1/20 0.39
KDM5C P41229 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
KDM4E B2RXH2 3/20 0.39
HTR6 P50406 1/20 0.39
TP53 P04637 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CYP1A2 P05177 1/20 0.39
CHRM2 P08172 1/20 0.39
SLC6A4 P31645 1/20 0.39
OPRD1 P41143 1/20 0.39

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
Hydrochloric Acid SCHEMBL29531271 0.82 MGLL (0.50) CHRM3
Hydrochloric Acid SCHEMBL20137389 0.82 MGLL (0.50) CHRM3
SCHEMBL20155888 0.82 MGLL (0.50) CHRM3
SCHEMBL20150076 0.81 LMNA (0.40) LMNAAPOBEC3ACTDSP1APOBEC3GCHRM3
SCHEMBL22542156 0.80 LMNA (0.49) LMNAAPOBEC3ACTDSP1APOBEC3GCHRM3
SCHEMBL19386356 0.75 LMNA (0.44) LMNAAPOBEC3ACTDSP1APOBEC3GCHRM3
SCHEMBL20150050 0.75 MGLL (0.65)
SCHEMBL28986035 0.75 KDM5C (0.49) LMNACHRM3ALDH1A1GAACXCR4
SCHEMBL20150049 0.74 MGLL (0.54)
SCHEMBL4040336 0.74 LMNA (0.43) LMNACHRM3CXCR4HTR6TP53

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 3 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
WO-2018093946-A1 MAGL INHIBITORS ABIDE THERAPEUTICS, INC. (US) 2018-05-24 WO 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 3432/4885APOBEC3A 4367/4885CTDSP1 1896/4885

“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.