SCHEMBL3772113

SCHEMBL3772113

O=C(CCc1n[nH]c2ccnc(NC3CCCCC3)c12)NC1CC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 10/20 0.49
EPHX2 P34913 1/20 0.40
PARP1 P09874 1/20 0.39
EPHX1 P07099 1/20 0.39
UTS2R Q9UKP6 1/20 0.39
MAPT P10636 1/20 0.39
AURKA O14965 1/20 0.39
AURKB Q96GD4 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMYD3 Q9H7B4 1/20 0.39

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
SCHEMBL3769234 0.99 LRRK2 (0.50) LRRK2EPHX2PARP1EPHX1MAPT
SCHEMBL3762186 0.90 LRRK2 (0.52) LRRK2PARP1UTS2R
SCHEMBL3768568 0.88 LRRK2 (0.52) LRRK2PARP1UTS2R
SCHEMBL19564547 0.87 LRRK2 (0.53) LRRK2UTS2R
SCHEMBL27865241 0.86 LRRK2 (0.50) LRRK2EPHX2UTS2R
SCHEMBL382421 0.85 LRRK2 (0.53) LRRK2MAPTALDH1A1
SCHEMBL19566623 0.85 EPHX1 (0.46) LRRK2EPHX1MAPTALDH1A1
SCHEMBL3775192 0.84 LRRK2 (0.51) LRRK2UTS2R
SCHEMBL3774692 0.84 LRRK2 (0.48) LRRK2PARP1
SCHEMBL3775929 0.84 LRRK2 (0.60) LRRK2ALDH1A1

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 6 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
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 2309/4885EPHX2 2006/4885PARP1 2278/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 LRRK2 2208/4885EPHX2 1983/4885PARP1 2269/4885

“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.