SCHEMBL4160244

SCHEMBL4160244

[O]CCN(Cc1ccccc1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.59
CYP2C19 P33261 1/20 0.52
CYP2D6 P10635 2/20 0.49
LMNA P02545 2/20 0.47
GLA P06280 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47
TAAR1 Q96RJ0 2/20 0.45
CYP1A2 P05177 1/20 0.45
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
PDE6A P16499 1/20 0.45
ADRA2C P18825 1/20 0.45
MC4R P32245 1/20 0.45
ADRA1A P35348 1/20 0.45
HRH1 P35367 1/20 0.45
OPRM1 P35372 1/20 0.45
DRD3 P35462 1/20 0.45

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
SCHEMBL4162431 0.88 TSHR (0.55) TSHRCYP2C19CYP2D6LMNAGLA
SCHEMBL4170696 0.87 CYP2C19 (0.73) TSHRCYP2C19LMNACNR2NR1H2
SCHEMBL4165355 0.83 RAB9A (0.52) TSHRCYP2C19LMNASLC6A3KMT2A
SCHEMBL7354472 0.83 TSHR (0.63) TSHRCYP2C19CYP2D6LMNAGLA
SCHEMBL43183 0.82 TSHR (0.74) TSHRCYP2C19CYP2D6LMNAGLA
SCHEMBL11798046 0.81 TSHR (0.61) TSHRCYP2C19CYP2D6LMNAGLA
SCHEMBL355040 0.80 TSHR (0.71) TSHRCYP2C19CYP2D6LMNAGLA
Hydrochloric Acid SCHEMBL2139953 0.80 TSHR (0.71) TSHRCYP2C19CYP2D6LMNAGLA
SCHEMBL11690263 0.79 TSHR (0.59) TSHRCYP2C19CYP2D6LMNAGLA
SCHEMBL10650495 0.79 TSHR (0.59) TSHRCYP2C19CYP2D6LMNAGLA

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 TSHR 23/4885CYP2C19 1337/4885CYP2D6 1224/4885
US-20070276043-A1 Tyrosine Derivatives As Ppar-Gamma-Modulators PPARG, PPARD, PPARA TSHR 19/4885CYP2C19 1064/4885CYP2D6 1105/4885

“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.