SCHEMBL4598385

SCHEMBL4598385

NC1CCCCC1C(=O)NCCO

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.40
CACNA1G O43497 4/20 0.38
CACNA1H O95180 4/20 0.38
CACNA1B Q00975 1/20 0.38
HSD17B10 Q99714 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CASP1 P29466 1/20 0.37
POLB P06746 1/20 0.37
GRM4 Q14833 1/20 0.36
CTSC P53634 1/20 0.35

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
SCHEMBL4824145 0.89 CACNA1G (0.34) TAAR1CACNA1GCACNA1HCACNA1BALDH1A1
SCHEMBL12565677 0.86 TAAR1 (0.49) TAAR1HSD17B10ALDH1A1CASP1POLB
SCHEMBL4598377 0.85 TAAR1 (0.40) TAAR1CACNA1GCACNA1HCACNA1BHSD17B10
SCHEMBL4824959 0.85 TAAR1 (0.40) TAAR1CACNA1GCACNA1HCACNA1BHSD17B10
SCHEMBL21253759 0.81 MC4R (0.39) TAAR1CACNA1GCACNA1HCACNA1BHSD17B10
SCHEMBL4598382 0.81 GRM4 (0.44) TAAR1HSD17B10ALDH1A1CASP1POLB
SCHEMBL8298293 0.81 CACNA1G (0.39) TAAR1CACNA1GCACNA1HCACNA1BHSD17B10
SCHEMBL11616910 0.81 NAAA (0.53) POLB
SCHEMBL11616912 0.81 NAAA (0.53) POLB
SCHEMBL3578694 0.80 GRM4 (0.48) ALDH1A1POLBGRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 TAAR1 2307/4885CACNA1G 1217/4885CACNA1H 1350/4885

“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.