SCHEMBL3768574

SCHEMBL3768574

O=C(CC1CC1)Nc1cccc(CCc2n[nH]c3ccnc(NC4CCCCC4)c23)c1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 5/20 0.45
EPHX2 P34913 2/20 0.42
LRRK2 Q5S007 3/20 0.41
PARP1 P09874 4/20 0.41
TSHR P16473 1/20 0.40
NPC1 O15118 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KMT2A Q03164 1/20 0.39
AURKB Q96GD4 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
SCHEMBL382240 0.89 TTK (0.46) ACKR3LRRK2PARP1NPC1
SCHEMBL13006036 0.88 ACKR3 (0.47) ACKR3LRRK2PARP1AURKB
SCHEMBL3770059 0.84 ACKR3 (0.49) ACKR3NPC1
SCHEMBL13006033 0.83 ACKR3 (0.47) ACKR3LRRK2PARP1
SCHEMBL13006042 0.83 ACKR3 (0.42) ACKR3LRRK2PARP1
SCHEMBL3763689 0.82 LRRK2 (0.44) LRRK2PARP1
SCHEMBL3778715 0.81 MEN1 (0.44) LRRK2PARP1NPC1KMT2A
SCHEMBL3763692 0.80 LRRK2 (0.48) LRRK2PARP1
SCHEMBL3775033 0.80 SIRT2 (0.46) ACKR3LRRK2PARP1
SCHEMBL3762154 0.80 LRRK2 (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 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 ACKR3 125/4885EPHX2 2006/4885LRRK2 2309/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 ACKR3 124/4885EPHX2 1983/4885LRRK2 2208/4885

“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.