SCHEMBL3766993

SCHEMBL3766993

CC1CCCN(C(=O)CCc2n[nH]c3ccnc(NC4CCCCC4)c23)C1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 8/20 0.62
SMN1; SMN2 Q16637 2/20 0.45
HPGD P15428 1/20 0.45
ALDH1A1 P00352 4/20 0.42
GAA P10253 3/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
RAB9A P51151 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GFER P55789 3/20 0.39
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
JAK2 O60674 1/20 0.38
JAK3 P52333 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
SCHEMBL19566703 1.00 LRRK2 (0.62) LRRK2SMN1; SMN2HPGDALDH1A1GAA
SCHEMBL3771239 1.00 LRRK2 (0.62) LRRK2SMN1; SMN2HPGDALDH1A1GAA
SCHEMBL3768589 0.96 LRRK2 (0.57) LRRK2SMN1; SMN2HPGDALDH1A1GAA
SCHEMBL16857686 0.96 LRRK2 (0.57) LRRK2SMN1; SMN2HPGDALDH1A1GAA
SCHEMBL3766638 0.93 LRRK2 (0.53) LRRK2
SCHEMBL883324 0.92 LRRK2 (0.74) LRRK2SMN1; SMN2HPGDALDH1A1GAA
SCHEMBL13834382 0.92 LRRK2 (0.74) LRRK2SMN1; SMN2HPGDALDH1A1GAA
SCHEMBL13834167 0.92 LRRK2 (0.74) LRRK2SMN1; SMN2HPGDALDH1A1GAA
SCHEMBL3771937 0.90 LRRK2 (0.51) LRRK2GFER
SCHEMBL3773105 0.90 LRRK2 (0.56) LRRK2SMN1; SMN2HPGDALDH1A1KDM4E

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 7 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
US-20170320870-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2017-11-09 US disclosed
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
US-20100317646-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-12-16 US 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 2309/4885SMN1; SMN2 3173/4885HPGD 3618/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 LRRK2 2208/4885SMN1; SMN2 3183/4885HPGD 3653/4885

“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.