SCHEMBL4165641

SCHEMBL4165641

c1ccc([N]CC2CC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
MIF P14174 1/20 0.36
GBA1 P04062 2/20 0.34
GRIN2B Q13224 4/20 0.34
SIGMAR1 Q99720 1/20 0.32
HTR3E A5X5Y0 1/20 0.31
SLC22A2 O15244 1/20 0.31
SLC22A1 O15245 1/20 0.31
SLC22A3 O75751 1/20 0.31
HTR3B O95264 1/20 0.31
PLAU P00749 1/20 0.31
HTR3A P46098 1/20 0.31
HTR3D Q70Z44 1/20 0.31
HTR3C Q8WXA8 1/20 0.31
CCR3 P51677 1/20 0.31

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
SCHEMBL4167981 0.91 OPRM1 (0.39) ALDH1A1MIFGRIN2B
SCHEMBL4163427 0.91 EPHX2 (0.37) ALDH1A1MIFSIGMAR1
SCHEMBL4149364 0.89 EPHX2 (0.40) ALDH1A1SIGMAR1
SCHEMBL6647796 0.77 CYP19A1 (0.37)
SCHEMBL6159174 0.70 ALDH1A1 (0.36) ALDH1A1GBA1SIGMAR1
SCHEMBL4157883 0.69 HTR3E (0.41) GRIN2BSIGMAR1HTR3EHTR3BHTR3A
SCHEMBL4156668 0.68 TRPA1 (0.43) ALDH1A1MIFGBA1GRIN2BSIGMAR1
SCHEMBL8029164 0.68 ALDH1A1 (0.50) ALDH1A1MIFGRIN2BHTR3ESLC22A2
SCHEMBL7754354 0.68 ALDH1A1 (0.50) ALDH1A1MIFHTR3ESLC22A2SLC22A1
SCHEMBL4524677 0.66 MIF (0.47) ALDH1A1MIFGRIN2BCCR3

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 ALDH1A1 2505/4885MIF 4804/4885GBA1 3930/4885
US-20070276043-A1 Tyrosine Derivatives As Ppar-Gamma-Modulators PPARG, PPARD, PPARA ALDH1A1 1939/4885MIF 4796/4885GBA1 3737/4885

“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.