SCHEMBL3766419

SCHEMBL3766419

CCC(CC)Nc1nccc2[nH]nc(C)c12

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 11/20 0.47
CRHR1 P34998 4/20 0.40
UTS2R Q9UKP6 4/20 0.38
MAPK1 P28482 1/20 0.32

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
SCHEMBL3775671 0.87 LRRK2 (0.63) LRRK2UTS2R
SCHEMBL3762236 0.87 LRRK2 (0.63) LRRK2UTS2R
SCHEMBL3771445 0.87 LRRK2 (0.63) LRRK2UTS2R
SCHEMBL3768838 0.83 LRRK2 (0.59) LRRK2UTS2R
SCHEMBL3764164 0.82 LRRK2 (0.47) LRRK2UTS2R
SCHEMBL3774882 0.82 LRRK2 (0.47) LRRK2UTS2R
SCHEMBL3766338 0.82 LRRK2 (0.47) LRRK2UTS2R
SCHEMBL3774711 0.80 LRRK2 (0.48) LRRK2UTS2RMAPK1
SCHEMBL19566614 0.80 LRRK2 (0.48) LRRK2UTS2RMAPK1
SCHEMBL19548033 0.79 LRRK2 (0.38) LRRK2MAPK1

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 2309/4885CRHR1 19/4885UTS2R 452/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 LRRK2 2208/4885CRHR1 21/4885UTS2R 454/4885

“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.