SCHEMBL13050846

SCHEMBL13050846

CS(=O)(=O)OCCc1c[nH]c2ccc(OC3=Nc4ccccc4C3)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 2/20 0.42
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
HTR6 P50406 2/20 0.40
LTA4H P09960 3/20 0.38
PLA2G2A P14555 3/20 0.38
SLC6A4 P31645 1/20 0.38
HTR1A P08908 8/20 0.38
HTR1B P28222 7/20 0.38
HTR1D P28221 6/20 0.38
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38
CYP2D6 P10635 1/20 0.37
CYP1A2 P05177 1/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR7 P34969 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
SCHEMBL13050847 0.83 CYP2D6 (0.53) TRPM8MAPTHTR6LTA4HPLA2G2A
SCHEMBL13050886 0.79 LTA4H (0.36) MAPTALDH1A1LTA4HMTNR1ACYP2D6
SCHEMBL741863 0.74 LTA4H (0.46) TRPM8MAPTALDH1A1GAAHTR6
SCHEMBL649226 0.72 HTR2A (0.53) MAPTALDH1A1HTR6SLC6A4HTR1A
SCHEMBL6280803 0.71 HTR2A (0.58) MAPTALDH1A1GAAHTR6SLC6A4
SCHEMBL25307628 0.70 MPO (0.60) TRPM8SLC6A4HTR1AMTNR1AMTNR1B
SCHEMBL8111779 0.67 HTR1D (0.62) HTR1BHTR1D
SCHEMBL14092936 0.66 HTT (0.38) ALDH1A1
SCHEMBL8902207 0.66 HTR1D (0.64) HTR1AHTR1BHTR1DHTR7
SCHEMBL5338731 0.65 SLC6A4 (0.55) MAPTALDH1A1HTR6SLC6A4HTR1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399465-B2 Compounds with two fused bicyclic heteroaryl moieties as modulators of leukotriene A4 hydrolase JANSSEN PHARMACEUTICA NV (BE) 2013-03-19 US disclosed
US-20100292208-A1 COMPOUNDS WITH TWO FUSED BICYCLIC HETEROARYL MOIETIES AS MODULATORS OF LEUKOTRIENE A4 HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2010-11-18 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-20100292208-A1 COMPOUNDS WITH TWO FUSED BICYCLIC HETEROARYL MOIETIES AS MODULATORS OF LEUKOTRIENE A4 HYDROLASE LTA4H, LTC4S, LTB4R TRPM8 861/4885MAPT 4429/4885ALDH1A1 1950/4885

“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.