SCHEMBL4598377

SCHEMBL4598377

NCCNC(=O)C1CCCCC1N

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.40
MC4R P32245 1/20 0.39
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
SCHEMBL4824959 1.00 TAAR1 (0.40) TAAR1MC4RCACNA1GCACNA1HCACNA1B
SCHEMBL21253759 0.96 MC4R (0.39) TAAR1MC4RCACNA1GCACNA1HCACNA1B
SCHEMBL13818150 0.88 TAAR1 (0.47) TAAR1MC4RHSD17B10ALDH1A1CASP1
SCHEMBL4598385 0.85 TAAR1 (0.40) TAAR1CACNA1GCACNA1HCACNA1BHSD17B10
SCHEMBL8298293 0.85 CACNA1G (0.39) TAAR1CACNA1GCACNA1HCACNA1BHSD17B10
SCHEMBL14159195 0.81 TAAR1 (0.58) TAAR1MC4RHSD17B10ALDH1A1CASP1
SCHEMBL4824953 0.81 GRM4 (0.44) TAAR1MC4RHSD17B10ALDH1A1CASP1
SCHEMBL4598374 0.81 GRM4 (0.44) TAAR1MC4RHSD17B10ALDH1A1CASP1
SCHEMBL11616910 0.81 NAAA (0.53) POLB
SCHEMBL11616912 0.81 NAAA (0.53) POLB

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 2307/4885MC4R 1241/4885CACNA1G 1217/4885

“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.