SCHEMBL4933764

SCHEMBL4933764

CCOC(=O)c1nn(-c2ccc(Cl)cc2)c2c1C1CCC2CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
KDM4E B2RXH2 4/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
ALDH1A1 P00352 5/20 0.49
MAPT P10636 3/20 0.49
LMNA P02545 2/20 0.49
MEN1 O00255 2/20 0.49
GAA P10253 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
APP P05067 1/20 0.49
CASP1 P29466 1/20 0.49
P2RY12 Q9H244 1/20 0.45
GABRA2 P47869 1/20 0.45
GABRB2 P47870 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA9 Q16790 1/20 0.44

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
SCHEMBL1432107 0.93 KMT2A (0.50) KMT2AKDM4ENPC1RAB9AALDH1A1
SCHEMBL4935540 0.88 NPC1 (0.51) KMT2AKDM4ENPC1RAB9AALDH1A1
SCHEMBL4936297 0.88 SLC5A1 (0.47) KMT2AKDM4ENPC1RAB9AALDH1A1
SCHEMBL1432324 0.88 KMT2A (0.49) KMT2AKDM4ENPC1RAB9AALDH1A1
SCHEMBL4935447 0.85 ADORA1 (0.52) KMT2AKDM4EALDH1A1MAPTMEN1
SCHEMBL4931542 0.84 ALDH1A1 (0.54) KMT2AKDM4ENPC1RAB9AALDH1A1
SCHEMBL1431633 0.82 ALDH1A1 (0.49) KMT2AKDM4ENPC1RAB9AALDH1A1
SCHEMBL1432291 0.82 SLC5A1 (0.45) KMT2AKDM4ERAB9AALDH1A1MAPT
SCHEMBL1432032 0.81 NOTUM (0.45) ALDH1A1MAPTGABRA2GABRB2
SCHEMBL1431635 0.81 ALOX12 (0.54) KMT2AKDM4ENPC1RAB9AALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080200501-A1 NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESSES FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS S.A. (CH) 2008-08-21 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 (1 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-20080200501-A1 NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESSES FOR THEIR PREPARATION CNR2, CNR1, OPRL1 KMT2A 2331/4885KDM4E 2084/4885NPC1 590/4885

“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.