SCHEMBL5111363

SCHEMBL5111363

CCC(N)c1nc2cc(C)ccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.47
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
USP2 O75604 1/20 0.46
HTT P42858 1/20 0.46
SCN10A Q9Y5Y9 6/20 0.46
CYP1A2 P05177 2/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.41
S1PR4 O95977 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR5 Q9H228 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
AAK1 Q2M2I8 4/20 0.39
MLKL Q8NB16 1/20 0.39

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
SCHEMBL580331 0.83 TAAR1 (0.46) TAAR1ALDH1A1SCN10ACYP1A2KDM4E
SCHEMBL12727236 0.83 CYP1A2 (0.50) TAAR1ALDH1A1HPGDUSP2HTT
SCHEMBL4573758 0.82 CYP1A2 (0.53) TAAR1ALDH1A1HPGDUSP2HTT
SCHEMBL15172642 0.81 SCN10A (0.64) TAAR1SCN10AS1PR4S1PR1S1PR5
SCHEMBL17910400 0.79 KMT2A (0.43) TAAR1ALDH1A1HPGDUSP2HTT
SCHEMBL25160354 0.79 CYP1A2 (0.54) ALDH1A1HPGDUSP2HTTSCN10A
SCHEMBL10640557 0.79 TAAR1 (0.71) TAAR1ALDH1A1SCN10ACYP1A2KMT2A
SCHEMBL15172653 0.79 SCN10A (0.48) TAAR1ALDH1A1SCN10AS1PR4S1PR1
Hydrochloric Acid SCHEMBL17910969 0.78 KMT2A (0.42) TAAR1ALDH1A1HPGDUSP2HTT
SCHEMBL2757079 0.78 KDM4E (0.59) ALDH1A1HPGDUSP2HTTSCN10A

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-20080207683-A1 BIARYL-SUBSTITUTED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. 2008-08-28 US claimed
US-20080207683-A1 BIARYL-SUBSTITUTED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. 2008-08-28 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-20080207683-A1 BIARYL-SUBSTITUTED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S CTSS, CTSK, CTSZ TAAR1 3733/4885ALDH1A1 4560/4885HPGD 2447/4885

“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.