SCHEMBL6496979

SCHEMBL6496979

NCc1ccc(-c2ccc(N(Cc3ccccc3)Cc3ccccc3)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 6/20 0.61
CYP2C19 P33261 1/20 0.56
LOXL2 Q9Y4K0 1/20 0.52
HRH3 Q9Y5N1 1/20 0.52
CNR2 P34972 3/20 0.49
TSHR P16473 3/20 0.48
NR1H2 P55055 1/20 0.46
NR1H3 Q13133 1/20 0.46
NR3C1 P04150 1/20 0.45
CYP2D6 P10635 2/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
PDE6A P16499 1/20 0.41
ADRA2C P18825 1/20 0.41
MC4R P32245 1/20 0.41
ADRA1A P35348 1/20 0.41
HRH1 P35367 1/20 0.41

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
SCHEMBL7154167 0.88 CYP2C19 (0.69) TAAR1CYP2C19CNR2TSHRNR1H2
SCHEMBL9320026 0.82 CYP2C19 (0.62) TAAR1CYP2C19CNR2TSHRNR1H2
SCHEMBL2960872 0.82 CYP2C19 (0.78) TAAR1CYP2C19CNR2TSHRNR1H2
SCHEMBL12763733 0.81 CYP2C19 (0.85) TAAR1CYP2C19CNR2TSHRNR1H2
SCHEMBL5369717 0.81 CYP2C19 (0.60) TAAR1CYP2C19CNR2TSHRNR1H2
SCHEMBL18814251 0.79 TAAR1 (0.75) TAAR1CYP2C19LOXL2HRH3TSHR
SCHEMBL10763738 0.78 CYP2C19 (0.67) TAAR1CYP2C19CNR2TSHRNR1H2
SCHEMBL4407604 0.78 CYP2C19 (0.67) TAAR1CYP2C19CNR2TSHRNR1H2
SCHEMBL11334293 0.78 CYP2C19 (0.56) TAAR1CYP2C19CNR2TSHRNR1H2
SCHEMBL43183 0.77 TSHR (0.74) TAAR1CYP2C19CNR2TSHRNR1H2

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-20050065195-A1 Oxadiazolyl-biphenylcarboxamides and their use as p38 kinase inhibitors GLAXO GROUP LIMITED (GB) 2005-03-24 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-20050065195-A1 Oxadiazolyl-biphenylcarboxamides and their use as p38 kinase inhibitors MAPK3, MAPK1, MAPKAPK3 TAAR1 2654/4885CYP2C19 397/4885LOXL2 1635/4885

“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.