SCHEMBL4149364

SCHEMBL4149364

c1ccc([N]CC2CCCCC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.40
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
EPHX1 P07099 1/20 0.38
KDM1A O60341 3/20 0.37
MAOA P21397 3/20 0.37
MAOB P27338 3/20 0.37
SIGMAR1 Q99720 1/20 0.37
CHEK2 O96017 1/20 0.36
ALDH1A1 P00352 2/20 0.36
SLC18A3 Q16572 1/20 0.35
G6PC1 P35575 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34

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
SCHEMBL4163427 0.98 EPHX2 (0.37) EPHX2RAB9ANPC1EPHX1KDM1A
SCHEMBL4167981 0.94 OPRM1 (0.39) EPHX2ALDH1A1OPRM1OPRD1OPRK1
SCHEMBL4165641 0.89 ALDH1A1 (0.38) SIGMAR1ALDH1A1
SCHEMBL4157883 0.72 HTR3E (0.41) RAB9ANPC1SIGMAR1TDP1
SCHEMBL10676119 0.71 THRB (0.42) EPHX2ALDH1A1G6PC1
SCHEMBL16160821 0.71 THRB (0.42) EPHX2ALDH1A1G6PC1
SCHEMBL31538854 0.69 BCHE (0.39) EPHX2ALDH1A1TDP1
SCHEMBL6647796 0.68 CYP19A1 (0.37)
SCHEMBL158625 0.67 GBA1 (0.63) SLC18A3
SCHEMBL723225 0.67 ALDH1A1 (0.39) SIGMAR1ALDH1A1SLC18A3G6PC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090088438-A1 NEW TYROSINE DERIVATIVES AS PPARy MODULATORS LABORATORIOS SALVAT, S.A. (ES) 2009-04-02 US disclosed
US-7423172-B2 Tyrosine derivatives as PPAR-γ-modulators LABORATORIOS SALVAT, S.A. (ES) 2008-09-09 US disclosed
US-20070276043-A1 Tyrosine Derivatives As Ppar-Gamma-Modulators LABORATORIES SALVAT, S.A. (ES) 2007-11-29 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 (2 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-20090088438-A1 NEW TYROSINE DERIVATIVES AS PPARy MODULATORS PPARG, PPARD, TYRO3 EPHX2 4119/4885RAB9A 2235/4885NPC1 3120/4885
US-20070276043-A1 Tyrosine Derivatives As Ppar-Gamma-Modulators PPARG, PPARD, PPARA EPHX2 4331/4885RAB9A 2511/4885NPC1 3267/4885

“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.