SCHEMBL17700425

SCHEMBL17700425

Cc1cnnc(NCC(C)(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 9/20 0.38
HRH3 Q9Y5N1 2/20 0.38
NUDT1 P36639 2/20 0.38
GPR39 O43194 1/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
GABRA1 P14867 1/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
TNF P01375 1/20 0.31
IL1B P01584 1/20 0.31
PDE10A Q9Y233 1/20 0.30

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
SCHEMBL12895620 0.79 GABRG2 (0.49) HRH4GABRG2GABRB3GABRA5GABRA3
SCHEMBL28844931 0.77 LMNA (0.33) CYP11B1CYP11B2TNFIL1B
SCHEMBL12883367 0.75 NPC1 (0.32)
SCHEMBL1588078 0.74 HRH4 (0.67) HRH4HRH3
Hydrochloric Acid SCHEMBL1588125 0.73 HRH4 (0.66) HRH4HRH3
SCHEMBL1589390 0.73 HRH4 (0.44) HRH4HRH3
SCHEMBL846276 0.73 HRH4 (0.49) HRH4HRH3
SCHEMBL1588397 0.72 HRH4 (0.58) HRH4HRH3
SCHEMBL12933368 0.72 NOS3 (0.53) HRH4NUDT1GPR39
SCHEMBL2629423 0.71

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 HRH4 669/4885HRH3 1204/4885NUDT1 2977/4885

“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.