SCHEMBL4598774

SCHEMBL4598774

NC(=O)[C@H]1CCCC[C@H]1C(=O)NCCNc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.56
TAAR1 Q96RJ0 5/20 0.53
F2 P00734 1/20 0.45
MAPT P10636 2/20 0.45
GRM4 Q14833 1/20 0.45
GAA P10253 1/20 0.45
HSD17B10 Q99714 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CASP1 P29466 1/20 0.44
HTR1A P08908 1/20 0.44
GLA P06280 1/20 0.43
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 1/20 0.42
RAB9A P51151 1/20 0.42
HPGD P15428 1/20 0.41

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
SCHEMBL4598776 0.86 EPHX1 (0.56) EPHX1TAAR1MAPTGAAHSD17B10
SCHEMBL4825242 0.83 TAAR1 (0.53) TAAR1F2GAAALDH1A1SMN1; SMN2
SCHEMBL4820586 0.83 CTSK (0.50) MAPTGAASMN1; SMN2
SCHEMBL4823780 0.83 CTSK (0.50) MAPTGAASMN1; SMN2
SCHEMBL4821836 0.82 TAAR1 (0.79) EPHX1TAAR1F2GAAHSD17B10
SCHEMBL4598119 0.81 TAAR1 (0.58) TAAR1F2HSD17B10ALDH1A1CASP1
SCHEMBL4819679 0.80 TAAR1 (0.67) EPHX1TAAR1HSD17B10ALDH1A1CASP1
SCHEMBL4817714 0.80 MAPT (0.50) EPHX1TAAR1F2MAPTGRM4
SCHEMBL4825547 0.79 TAAR1 (0.49) TAAR1F2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL4821439 0.78 RAB9A (0.67) TAAR1ALDH1A1SMN1; SMN2RAB9AHPGD

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 EPHX1 3175/4885TAAR1 2307/4885F2 2012/4885

“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.