SCHEMBL4656012

SCHEMBL4656012

COC(=O)Cc1ccc2c(c1)CNCC2

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PNMT P11086 3/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
GFER P55789 1/20 0.46

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
Hydrochloric Acid SCHEMBL4012077 0.99 PNMT (0.45) PNMTALDH1A1GAAGFER
SCHEMBL8847933 0.82 ALDH1A1 (0.54) ALDH1A1GAAGFER
SCHEMBL14820657 0.81 PNMT (0.49) PNMT
SCHEMBL13739704 0.81 PNMT (0.49) PNMT
SCHEMBL31481009 0.81 PNMT (0.49) PNMT
SCHEMBL19642967 0.81 PLAU (0.49)
SCHEMBL14677387 0.81 PLAU (0.43)
SCHEMBL31173354 0.80 PLAU (0.43)
SCHEMBL19423659 0.79 PNMT (0.42) PNMT
SCHEMBL6274911 0.78 ALDH1A1 (0.47) ALDH1A1GAAGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1996198-A1 ALKYLAMINE-SUBSTITUTED BICYCLIC ARYL COMPOUNDS USEFUL AS MODULATORS OF PPAR Kalypsys, Inc. (US) 2008-12-03 EP disclosed
WO-2007146838-A2 SUBSTITUTED PHENYL ACETIC ACIDS AS DP-2 ANTAGONISTS ICOS CORPORATION (US) 2007-12-21 WO disclosed
WO-2007109577-A1 ALKYLAMINE-SUBSTITUTED BICYCLIC ARYL COMPOUNDS USEFUL AS MODULATORS OF PPAR KALYPSYS, INC. (US) 2007-09-27 WO disclosed
WO-2007109577-A1 ALKYLAMINE-SUBSTITUTED BICYCLIC ARYL COMPOUNDS USEFUL AS MODULATORS OF PPAR KALYPSYS, INC. (US) 2007-09-27 WO disclosed
US-20070219193-A1 ALKYLAMINE-SUBSTITUTED BICYCLIC ARYL COMPOUNDS USEFUL AS MODULATORS OF PPAR KALYPSYS, INC (US) 2007-09-20 US disclosed
US-20070219193-A1 ALKYLAMINE-SUBSTITUTED BICYCLIC ARYL COMPOUNDS USEFUL AS MODULATORS OF PPAR KALYPSYS, INC (US) 2007-09-20 US disclosed
US-20070219193-A1 ALKYLAMINE-SUBSTITUTED BICYCLIC ARYL COMPOUNDS USEFUL AS MODULATORS OF PPAR KALYPSYS, INC (US) 2007-09-20 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-20070219193-A1 ALKYLAMINE-SUBSTITUTED BICYCLIC ARYL COMPOUNDS USEFUL AS MODULATORS OF PPAR PPARG, PPARA, PPARD PNMT 504/4885ALDH1A1 882/4885GAA 1471/4885

“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.