SCHEMBL4572890

SCHEMBL4572890

COc1cccc(CC(N)CN)c1

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 3/20 0.72
▸ IDO1 P14902 2/20 0.54
▸ AGXT P21549 2/20 0.54
▸ MAOB P27338 4/20 0.51
▸ AOC3 Q16853 1/20 0.49
▸ CHRM2 P08172 2/20 0.47
▸ CHRM1 P11229 1/20 0.47
▸ CHRM3 P20309 1/20 0.47
▸ CMA1 P23946 1/20 0.46
▸ SIGMAR1 Q99720 1/20 0.45

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
SCHEMBL30762190 1.00 TAAR1 (0.72) TAAR1IDO1AGXTMAOBAOC3
SCHEMBL29194747 0.86 TAAR1 (0.72) TAAR1IDO1AGXTMAOBAOC3
SCHEMBL13349231 0.86 TAAR1 (0.72) TAAR1IDO1AGXTMAOBAOC3
SCHEMBL29337151 0.85 TAAR1 (0.70) TAAR1IDO1AGXTMAOBAOC3
SCHEMBL28244500 0.85 TAAR1 (0.70) TAAR1IDO1AGXTMAOBAOC3
(S)-M-Methoxyamphetamine SCHEMBL3293027 0.84 TAAR1 (1.00) TAAR1IDO1AGXTSIGMAR1
(S)-M-Methoxyamphetamine SCHEMBL269071 0.84 TAAR1 (1.00) TAAR1IDO1AGXTSIGMAR1
(S)-M-Methoxyamphetamine SCHEMBL30813013 0.84 TAAR1 (1.00) TAAR1IDO1AGXTSIGMAR1
(S)-M-Methoxyamphetamine SCHEMBL11461072 0.84 TAAR1 (1.00) TAAR1IDO1AGXTSIGMAR1
Hydrochloric Acid SCHEMBL11695113 0.83 TAAR1 (0.68) TAAR1IDO1AGXTMAOBAOC3

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 disclosed
WO-2008100622-A2 BIARYL-SUBSTITUTED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. (US) 2008-08-21 — — WO 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 3733/4885IDO1 2460/4885AGXT 4372/4885

“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.

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