SCHEMBL3772268

SCHEMBL3772268

O=C(c1cccc(-c2n[nH]c3ccnc(NC4CCCCC4)c23)c1)N1CCOCC1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 19/20 0.58
BMPR1B O00238 1/20 0.50
BMPR1A P36894 1/20 0.50
TGFBR1 P36897 1/20 0.50
ACVRL1 P37023 1/20 0.50
ACVR1 Q04771 1/20 0.50

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
SCHEMBL15266643 0.82 LRRK2 (0.62) LRRK2
SCHEMBL883311 0.80 LRRK2 (0.80) LRRK2
SCHEMBL3802502 0.78 LRRK2 (0.68) LRRK2
SCHEMBL3775077 0.78 LRRK2 (0.48) LRRK2BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL883626 0.78 LRRK2 (0.76) LRRK2
SCHEMBL3773096 0.77 LRRK2 (0.67) LRRK2
SCHEMBL382472 0.77 TTK (0.58) LRRK2
SCHEMBL3775922 0.77 LRRK2 (0.64) LRRK2
SCHEMBL3766531 0.77 LRRK2 (0.61) LRRK2
SCHEMBL3776200 0.76 LRRK2 (0.69) 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 2309/4885BMPR1B 901/4885BMPR1A 576/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 LRRK2 2208/4885BMPR1B 888/4885BMPR1A 531/4885

“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.