SCHEMBL4597893

SCHEMBL4597893

N[C@H]1CCCC[C@H]1C(=O)NCCc1ccncc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.74
▸ TAAR1 Q96RJ0 5/20 0.56
▸ ALDH1A1 P00352 2/20 0.52
▸ CASP1 P29466 1/20 0.52
▸ POLB P06746 2/20 0.50
▸ HTT P42858 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ GLA P06280 1/20 0.45
▸ HDAC2 Q92769 1/20 0.45
▸ HDAC8 Q9BY41 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ EPHX1 P07099 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA5A P35218 1/20 0.42

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
SCHEMBL4597891 0.86 HSD17B10 (0.78) HSD17B10TAAR1ALDH1A1CASP1POLB
SCHEMBL4821845 0.86 TAAR1 (0.74) HSD17B10TAAR1ALDH1A1CASP1POLB
SCHEMBL4827121 0.85 TAAR1 (0.54) HSD17B10TAAR1ALDH1A1CASP1POLB
SCHEMBL28140185 0.80 HSD17B10 (0.68) HSD17B10TAAR1ALDH1A1POLBHTT
SCHEMBL4819683 0.78 TAAR1 (0.63) TAAR1ALDH1A1EPHX1
SCHEMBL4598289 0.78 ALOX5AP (0.58) HSD17B10TAAR1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL4597880 0.77 TAAR1 (0.61) HSD17B10TAAR1ALDH1A1CASP1POLB
SCHEMBL13393285 0.74 HSD17B10 (0.51) HSD17B10ALDH1A1POLBHTTTDP1
SCHEMBL15708897 0.74 TAAR1 (0.77) HSD17B10TAAR1ALDH1A1CASP1POLB
SCHEMBL18433050 0.73 HSD17B10 (0.59) HSD17B10TAAR1ALDH1A1CASP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070032484-A1 Cathepsin K inhibitors ROCHE PALO ALTO LLC 2007-02-08 — — US claimed
EP-1910286-A2 CATHEPSIN K INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-04-16 — — EP disclosed
US-7358373-B2 Cathepsin K inhibitors ROCHE PALO ALTO LLC (US) 2008-04-15 — — US disclosed
US-20070032484-A1 Cathepsin K inhibitors ROCHE PALO ALTO LLC 2007-02-08 — — US disclosed
WO-2007014839-A2 CATHEPSIN K INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-02-08 — — 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-20070032484-A1 Cathepsin K inhibitors CTSK, CTSS, CTSF HSD17B10 2429/4885TAAR1 2307/4885ALDH1A1 1616/4885

“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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