SCHEMBL17700545

SCHEMBL17700545

CC1(CNc2ccccn2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.58
CXCR4 P61073 1/20 0.50
CYP2C19 P33261 1/20 0.49
FABP1 P07148 1/20 0.49
FABP6 P51161 1/20 0.49
CYP1A2 P05177 1/20 0.46
NPSR1 Q6W5P4 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
GAA P10253 2/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
CYP2D6 P10635 1/20 0.42
FDPS P14324 1/20 0.41
MEN1 O00255 1/20 0.41
MAPK10 P53779 1/20 0.41
GFER P55789 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL2360451 0.80 KDM4E (0.43) KDM4ECXCR4CYP2C19FABP1FABP6
SCHEMBL17700308 0.79 KDM4E (0.58) KDM4ECXCR4CYP2C19FABP1FABP6
SCHEMBL17700189 0.76 KDM4E (0.59) KDM4ECXCR4CYP2C19FABP1FABP6
SCHEMBL19953721 0.76 KDM4E (0.55) KDM4ECXCR4CYP2C19FABP1FABP6
SCHEMBL17700213 0.76 KDM4E (0.59) KDM4ECXCR4CYP2C19FABP1FABP6
SCHEMBL12441368 0.76 KDM4E (0.42) KDM4ECXCR4CYP2C19FABP1FABP6
SCHEMBL17234130 0.73 KDM4E (0.56) KDM4ECXCR4FABP1FABP6CYP1A2
SCHEMBL30920018 0.73 KDM4E (0.56) KDM4ECXCR4FABP1FABP6CYP1A2
SCHEMBL29394898 0.72
SCHEMBL306278 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3031799-B1 AROMATIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2018-04-04 EP disclosed
US-9776962-B2 Aromatic compounds with GPR40 agonistic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-10-03 US disclosed
EP-3031799-A1 AROMATIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-06-15 EP disclosed
US-20160115128-A1 AROMATIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-04-28 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-20160115128-A1 AROMATIC COMPOUND GLP1R, GPR119, GPR39 KDM4E 662/4885CXCR4 1021/4885CYP2C19 3380/4885

“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.