SCHEMBL3773016

SCHEMBL3773016

O=C(CCc1n[nH]c2ccnc(NC3CCCCC3)c12)N1CCCCC1c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 10/20 0.47
CPT1A P50416 4/20 0.37
CPT2 P23786 3/20 0.37
CPT1B Q92523 1/20 0.36
EPHX2 P34913 2/20 0.36
HSD11B1 P28845 1/20 0.36
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 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
SCHEMBL3768988 0.92 LRRK2 (0.44) LRRK2PRMT5WDR77
SCHEMBL3763679 0.86 LRRK2 (0.49) LRRK2
SCHEMBL3766790 0.85 LRRK2 (0.53) LRRK2
SCHEMBL3768959 0.85 LRRK2 (0.48) LRRK2
SCHEMBL3770161 0.85 LRRK2 (0.51) LRRK2
SCHEMBL13189814 0.85 CPT1A (0.42) LRRK2CPT1ACPT2CPT1BPRMT5
SCHEMBL3783202 0.85 LRRK2 (0.51) LRRK2
SCHEMBL3775929 0.85 LRRK2 (0.60) LRRK2
SCHEMBL3762010 0.85 LRRK2 (0.60) LRRK2
SCHEMBL419524 0.84 LRRK2 (0.56) LRRK2

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 2309/4885CPT1A 2928/4885CPT2 3346/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 LRRK2 2208/4885CPT1A 2903/4885CPT2 3341/4885

“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.