SCHEMBL4818920

SCHEMBL4818920

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

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
TLR2 O60603 2/20 0.33
CACNA1G O43497 4/20 0.33
CACNA1H O95180 4/20 0.33
CTSC P53634 4/20 0.33
KCNH2 Q12809 2/20 0.33
CACNA1B Q00975 1/20 0.33
CTSB P07858 2/20 0.33
CTSS P25774 2/20 0.33
CTSK P43235 2/20 0.33
EPHX2 P34913 1/20 0.32

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
SCHEMBL4818915 0.86 TAAR1 (0.39) TAAR1ADRB2ADRB1ADRB3CTSB
SCHEMBL4827428 0.80 TAAR1 (0.43) TAAR1CACNA1GCACNA1HCTSCKCNH2
SCHEMBL4819787 0.74 NPSR1 (0.38) CACNA1GCACNA1HCTSCKCNH2CACNA1B
SCHEMBL6755270 0.72 CTSC (0.54) CTSCKCNH2CTSBCTSSCTSK
SCHEMBL8298293 0.71 CACNA1G (0.39) TAAR1CACNA1GCACNA1HCTSCKCNH2
SCHEMBL2061687 0.70 GRM4 (0.45) CACNA1GCACNA1HCTSCKCNH2CACNA1B
SCHEMBL2061686 0.70 GRM4 (0.45) CACNA1GCACNA1HCTSCKCNH2CACNA1B
SCHEMBL2061690 0.70 GRM4 (0.45) CACNA1GCACNA1HCTSCKCNH2CACNA1B
SCHEMBL4826158 0.70 CTSB (0.37) CACNA1GCACNA1HCTSCKCNH2CACNA1B
SCHEMBL5262811 0.69 CTSK (0.62) CTSBCTSSCTSK

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
US-7358373-B2 Cathepsin K inhibitors ROCHE PALO ALTO LLC (US) 2008-04-15 US claimed
US-20070032484-A1 Cathepsin K inhibitors ROCHE PALO ALTO LLC 2007-02-08 US claimed
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

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 2307/4885ADRB2 1850/4885ADRB1 528/4885

“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.