SCHEMBL3768652

SCHEMBL3768652

O=C(CCc1n[nH]c2ccnc(NC3CCCCC3)c12)N1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 18/20 0.56
GAA P10253 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL3775929 0.92 LRRK2 (0.60) LRRK2ALDH1A1
SCHEMBL3762010 0.92 LRRK2 (0.60) LRRK2ALDH1A1
SCHEMBL16864483 0.90 LRRK2 (0.57) LRRK2ALDH1A1
SCHEMBL3775098 0.90 LRRK2 (0.57) LRRK2ALDH1A1
SCHEMBL3773105 0.89 LRRK2 (0.56) LRRK2HSD17B10ALDH1A1
SCHEMBL10224703 0.89 LRRK2 (0.71) LRRK2TSHRALDH1A1
SCHEMBL3768589 0.87 LRRK2 (0.57) LRRK2GAATSHRHSD17B10ALDH1A1
SCHEMBL16857686 0.87 LRRK2 (0.57) LRRK2GAATSHRHSD17B10ALDH1A1
SCHEMBL462960 0.87 LRRK2 (0.55) LRRK2ALDH1A1
SCHEMBL3771239 0.86 LRRK2 (0.62) LRRK2GAATSHRHSD17B10ALDH1A1

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 8 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
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
WO-2010106333-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-09-23 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 (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 2309/4885GAA 4537/4885ALOX15 2933/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 LRRK2 2208/4885GAA 4532/4885ALOX15 2913/4885

“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.