SCHEMBL17700440

SCHEMBL17700440

CC(C)(C)CNc1nccc(C2CC2)n1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 1/20 0.53
▸ HRH4 Q9H3N8 16/20 0.52
▸ HRH3 Q9Y5N1 14/20 0.52
▸ PIK3CD O00329 1/20 0.46
▸ PIK3C3 Q8NEB9 1/20 0.46
▸ GPR39 O43194 1/20 0.43
▸ NUDT1 P36639 1/20 0.43

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
SCHEMBL24042813 0.76 SYK (0.40) PIK3CDPIK3C3
SCHEMBL14029983 0.75 HRH4 (0.54) CHRNA7HRH4HRH3NUDT1
SCHEMBL9169741 0.73 HRH4 (0.52) CHRNA7HRH4HRH3NUDT1
SCHEMBL16844971 0.73 HRH4 (0.52) CHRNA7HRH4HRH3PIK3CDPIK3C3
SCHEMBL22256859 0.73 SYK (0.37) CHRNA7PIK3CD
SCHEMBL2852000 0.73 KDM4E (0.44) CHRNA7PIK3CD
SCHEMBL13819906 0.72 RXRA (0.36) HRH3PIK3CDNUDT1
SCHEMBL24287892 0.72 MAPK9 (0.50) HRH4
SCHEMBL14004971 0.71 HRH4 (0.50) CHRNA7HRH4HRH3PIK3CDPIK3C3
SCHEMBL12932877 0.71 HRH4 (0.50) HRH4HRH3NUDT1

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 CHRNA7 2405/4885HRH4 669/4885HRH3 1204/4885

“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.

Send feedback