SCHEMBL4598119

SCHEMBL4598119

NC(=O)[C@H]1CCCC[C@H]1C(=O)NCCNCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.58
F2 P00734 1/20 0.55
HTT P42858 1/20 0.51
GLA P06280 1/20 0.47
MC4R P32245 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
ALDH1A1 P00352 2/20 0.47
USP2 O75604 1/20 0.47
HPGD P15428 1/20 0.47
SCN9A Q15858 1/20 0.46
HSD17B10 Q99714 2/20 0.45
CASP1 P29466 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.44

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
SCHEMBL4598121 0.87 TAAR1 (0.54) TAAR1F2HTTGLAMC4R
SCHEMBL4821836 0.85 TAAR1 (0.79) TAAR1F2GLAMC4RSMN1; SMN2
SCHEMBL4819679 0.83 TAAR1 (0.67) TAAR1GLAALDH1A1HSD17B10CASP1
SCHEMBL4597877 0.82 TAAR1 (0.65) TAAR1F2GLASMN1; SMN2NPC1
SCHEMBL4825242 0.81 TAAR1 (0.53) TAAR1F2MC4RSMN1; SMN2RAB9A
SCHEMBL4598774 0.81 EPHX1 (0.56) TAAR1F2GLASMN1; SMN2RAB9A
SCHEMBL4825547 0.77 TAAR1 (0.49) TAAR1F2SMN1; SMN2RAB9AALDH1A1
SCHEMBL4826986 0.77 F2 (0.42) TAAR1F2
SCHEMBL4821439 0.76 RAB9A (0.67) TAAR1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4826832 0.74 SMN1; SMN2 (0.53) TAAR1F2HTTMC4RSMN1; SMN2

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 6 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
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 2307/4885F2 2012/4885HTT 1720/4885

“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.