SCHEMBL4150707

SCHEMBL4150707

Cc1cccc([N]C(=O)C2CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 2/20 0.49
HTR3B O95264 2/20 0.49
HTR3A P46098 2/20 0.49
HTR3D Q70Z44 2/20 0.49
HTR3C Q8WXA8 2/20 0.49
NPSR1 Q6W5P4 1/20 0.43
GAA P10253 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
ATM Q13315 1/20 0.40
NOTUM Q6P988 1/20 0.40
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
CRHR1 P34998 2/20 0.38
PARP1 P09874 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37

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
SCHEMBL4158555 0.93 NPSR1 (0.51) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL4159491 0.93 GAA (0.49) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL4159489 0.77 AKR1C3 (0.41) GAANPC1RAB9ANOTUM
SCHEMBL1515207 0.74 HTR3E (0.66) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL4163322 0.71 L3MBTL1 (0.41) GAANPC1RAB9AATMALDH1A1
SCHEMBL4159720 0.71 NPC1 (0.41) NPSR1GAANPC1RAB9AALDH1A1
SCHEMBL4173665 0.71 HPGD (0.46) GAANPC1RAB9AALDH1A1
M-Xylene SCHEMBL17907460 0.71 PARP1 (0.52) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL4154113 0.71 HPGD (0.43) GAAATMALDH1A1
SCHEMBL6183451 0.69 ALDH1A1 (0.61) NPC1RAB9APARP1ALDH1A1

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.