SCHEMBL4156668

SCHEMBL4156668

c1ccc(C[N]CC2CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
MIF P14174 1/20 0.43
HPGD P15428 1/20 0.43
GBA1 P04062 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
CCR3 P51677 1/20 0.36
G6PC1 P35575 1/20 0.36
GRIN1 Q05586 2/20 0.36
GRIN2B Q13224 2/20 0.36
HRH3 Q9Y5N1 1/20 0.35
NOS2 P35228 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35

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
SCHEMBL4524677 0.79 MIF (0.47) TRPA1ALDH1A1MIFHPGDCCR3
SCHEMBL1653 0.78 ALDH1A1 (0.55) TRPA1ALDH1A1CYP3A4MIFHPGD
Hydrogen Sulfide SCHEMBL5079696 0.75 ALDH1A1 (0.52) TRPA1ALDH1A1CYP3A4MIFHPGD
SCHEMBL4520548 0.72 TAAR1 (0.38) ALDH1A1SIGMAR1
SCHEMBL2145 0.72 ALDH1A1 (0.50) TRPA1ALDH1A1CYP3A4MIFHPGD
SCHEMBL10325242 0.71 TRPA1 (0.48) TRPA1ALDH1A1CYP3A4MIFHPGD
SCHEMBL2027845 0.69 GBA1 (0.71) ALDH1A1GBA1SIGMAR1CCR3GRIN2B
SCHEMBL674276 0.69 GBA1 (0.71) ALDH1A1GBA1SIGMAR1CCR3GRIN2B
SCHEMBL4165641 0.68 ALDH1A1 (0.38) ALDH1A1MIFGBA1SIGMAR1CCR3
SCHEMBL2242592 0.68 ALDH1A1 (0.41) TRPA1ALDH1A1CYP3A4MIFHPGD

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 1 patent. 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

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-20090088438-A1 NEW TYROSINE DERIVATIVES AS PPARy MODULATORS PPARG, PPARD, TYRO3 TRPA1 1836/4885ALDH1A1 2505/4885CYP3A4 1146/4885

“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.