SCHEMBL3772611

SCHEMBL3772611

O=C(c1ccc(CCc2n[nH]c3ccnc(NC4CCCCC4)c23)cc1)N1CC[C@H](c2cccnc2)C1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 3/20 0.41
NAMPT P43490 1/20 0.41
SPR P35270 1/20 0.39
VNN1 O95497 8/20 0.38
HSD11B1 P28845 2/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ATM Q13315 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
PDE10A Q9Y233 1/20 0.35
PKM P14618 1/20 0.35
CCR5 P51681 1/20 0.35

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
SCHEMBL3772615 1.00 LRRK2 (0.41) LRRK2NAMPTSPRVNN1HSD11B1
SCHEMBL3772617 0.87 LRRK2 (0.48) LRRK2SPRHSD11B1ALDH1A1
SCHEMBL3777344 0.84 LRRK2 (0.46) LRRK2
SCHEMBL3767028 0.83 LRRK2 (0.47) LRRK2ALDH1A1PDE10A
SCHEMBL10225283 0.83 LRRK2 (0.49) LRRK2
SCHEMBL13006057 0.82 LRRK2 (0.45) LRRK2
SCHEMBL3775077 0.82 LRRK2 (0.48) LRRK2
SCHEMBL883223 0.82 LRRK2 (0.55) LRRK2NAMPTALDH1A1HTT
SCHEMBL3772259 0.79 SMN1; SMN2 (0.44) LRRK2NPC1RAB9AALDH1A1HTT
SCHEMBL3783202 0.79 LRRK2 (0.51) LRRK2NPC1RAB9AALDH1A1HTT

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-20170320870-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2017-11-09 US disclosed
EP-2408772-B1 COMPOUNDS MEDICAL RES COUNCIL TECHNOLOGY (GB) 2015-07-01 EP disclosed
US-20100317646-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-12-16 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 (2 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-20170320870-A1 COMPOUNDS CBR3, CNR1, HCAR3 LRRK2 2309/4885NAMPT 1960/4885SPR 2994/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 LRRK2 2208/4885NAMPT 2020/4885SPR 3035/4885

“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.