SCHEMBL3770229

SCHEMBL3770229

Cc1n[nH]c2ccnc(NCCC3CCCN3C)c12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.41
GFER P55789 1/20 0.40
CHRNB1 P11230 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
CHRNB3 Q05901 1/20 0.39
LRRK2 Q5S007 3/20 0.39
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ERAP1 Q9NZ08 1/20 0.38
CAMK2D Q13557 1/20 0.38
NMT1 P30419 2/20 0.38
RAD52 P43351 2/20 0.38
MITF O75030 1/20 0.38

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
SCHEMBL3775019 0.74 UTS2R (0.55) LRRK2
SCHEMBL16857689 0.74 CHRNB2 (0.39) CHRNB1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3776613 0.74 UTS2R (0.57) LRRK2
SCHEMBL3766780 0.74 LRRK2 (0.64) LRRK2
SCHEMBL3770309 0.73 UTS2R (0.58) LRRK2
SCHEMBL3775101 0.72 TLR8 (0.38) LRRK2
SCHEMBL3774701 0.72 LRRK2 (0.51) LRRK2
SCHEMBL3768544 0.71 UTS2R (0.57) LRRK2
SCHEMBL3780547 0.71 UTS2R (0.43) LRRK2NPC1RAB9ACAMK2D
SCHEMBL3774010 0.71 TLR8 (0.53) 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 KDM1A 4275/4885GFER 1080/4885CHRNB1 619/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 KDM1A 4317/4885GFER 1131/4885CHRNB1 653/4885

“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.