SCHEMBL4157883

SCHEMBL4157883

Cc1cccc([N]CC2CCC2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 2/20 0.41
HTR3B O95264 2/20 0.41
HTR3A P46098 2/20 0.41
HTR3D Q70Z44 2/20 0.41
HTR3C Q8WXA8 2/20 0.41
NPC1 O15118 2/20 0.38
ACHE P22303 1/20 0.37
MEN1 O00255 1/20 0.37
NSD2 O96028 1/20 0.37
CASP3 P42574 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
GAA P10253 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
SCHEMBL4167981 0.77 OPRM1 (0.39) GRIN2B
SCHEMBL4163427 0.74 EPHX2 (0.37) NPC1RAB9AL3MBTL1GAASIGMAR1
SCHEMBL4149364 0.72 EPHX2 (0.40) NPC1RAB9ATDP1SIGMAR1
SCHEMBL3525971 0.71 HTR3E (0.50) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8744042 0.69 HTR3E (0.41) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL4165641 0.69 ALDH1A1 (0.38) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL4160499 0.68 P2RX7 (0.35) NPC1ACHEMEN1RAB9AKMT2A
SCHEMBL10775857 0.67 HTR3E (0.50) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL4159491 0.67 GAA (0.49) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1405327 0.66 MEN1 (0.67) HTR3EHTR3BHTR3AHTR3DHTR3C

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 HTR3E 230/4885HTR3B 192/4885HTR3A 97/4885

“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.