SCHEMBL4598374

SCHEMBL4598374

NCCNC(=O)C1CCCCC1C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 2/20 0.44
TAAR1 Q96RJ0 3/20 0.43
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
EPHX1 P07099 1/20 0.42
HSD17B10 Q99714 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CASP1 P29466 1/20 0.40
MC4R P32245 1/20 0.39
LMNA P02545 1/20 0.39
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL4824953 1.00 GRM4 (0.44) GRM4TAAR1PSEN1PSEN2APH1B
SCHEMBL13818150 0.92 TAAR1 (0.47) GRM4TAAR1HSD17B10ALDH1A1CASP1
SCHEMBL4598382 0.85 GRM4 (0.44) GRM4TAAR1PSEN1PSEN2APH1B
SCHEMBL14159195 0.85 TAAR1 (0.58) TAAR1HSD17B10ALDH1A1CASP1MC4R
SCHEMBL18588463 0.84 TAAR1 (0.42) GRM4TAAR1PSEN1PSEN2APH1B
SCHEMBL17970596 0.84 TAAR1 (0.42) GRM4TAAR1PSEN1PSEN2APH1B
SCHEMBL9517661 0.84 GRM4 (0.43) GRM4TAAR1PSEN1PSEN2APH1B
SCHEMBL4598377 0.81 TAAR1 (0.40) GRM4TAAR1HSD17B10ALDH1A1CASP1
SCHEMBL4824959 0.81 TAAR1 (0.40) GRM4TAAR1HSD17B10ALDH1A1CASP1
SCHEMBL26506434 0.81 GRM4 (0.43) GRM4TAAR1HSD17B10ALDH1A1CASP1

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 GRM4 4622/4885TAAR1 2307/4885PSEN1 1444/4885

“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.