SCHEMBL13675320

SCHEMBL13675320

Nc1[nH]nc2c1C[C@H]1[C@H](Cc3ccccc3)[C@@H]21

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 5/20 0.36
NOS2 P35228 5/20 0.36
TAAR1 Q96RJ0 2/20 0.34
NOS3 P29474 1/20 0.33
GBA1 P04062 1/20 0.32
GRIN2B Q13224 2/20 0.32
HCAR2 Q8TDS4 2/20 0.31
GRIN2A Q12879 1/20 0.31

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
SCHEMBL4473199 0.82 HPGD (0.35) NOS1NOS2
SCHEMBL13631524 0.82 HPGD (0.35) NOS1NOS2
SCHEMBL4489072 0.82 AURKA (0.36) NOS1NOS2HCAR2
SCHEMBL13631523 0.82 AURKA (0.36) NOS1NOS2HCAR2
SCHEMBL4480935 0.81 HCAR2 (0.38) HCAR2
SCHEMBL13631526 0.81 HCAR2 (0.38) HCAR2
SCHEMBL4483926 0.81 HCAR2 (0.38) HCAR2
SCHEMBL13638082 0.81 HCAR2 (0.31) NOS1NOS2HCAR2
SCHEMBL13631525 0.77 HCAR2 (0.40) HCAR2
SCHEMBL4479799 0.77 HCAR2 (0.40) HCAR2

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-20090258892-A1 FUSED PYRAZOLE DERIVATIVES AND METHODS OF TREATMENT OF METABOLIC-RELATED DISORDERS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2009-10-15 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-20090258892-A1 FUSED PYRAZOLE DERIVATIVES AND METHODS OF TREATMENT OF METABOLIC-RELATED DISORDERS THEREOF ACE, ACE2, AGTR2 NOS1 2692/4885NOS2 1946/4885TAAR1 3838/4885

“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.