SCHEMBL4826821

SCHEMBL4826821

Cn1c(C(=O)N[C@H]2CCCC[C@H]2C(=O)NCCNC(=O)OCc2ccccc2)cc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CPB1 P15086 2/20 0.49
▸ CASP3 P42574 3/20 0.45
▸ CTSS P25774 3/20 0.44
▸ CTSB P07858 2/20 0.44
▸ CTSK P43235 2/20 0.44
▸ CTSL P07711 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ KCNH2 Q12809 1/20 0.41
▸ GHSR Q92847 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CHRNA7 P36544 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ CNR2 P34972 1/20 0.40

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
SCHEMBL4817689 0.87 TAAR1 (0.52) MEN1KMT2AKCNH2GHSRALDH1A1
SCHEMBL4822931 0.87 MEN1 (0.45) MEN1KMT2AKCNH2GHSRALDH1A1
SCHEMBL4822710 0.86 HDAC1 (0.46) MEN1KMT2AALDH1A1CHRNA7HDAC1
SCHEMBL4824939 0.86 MEN1 (0.46) MEN1KMT2AKCNH2GHSRALDH1A1
SCHEMBL4826975 0.85 HDAC1 (0.47) KMT2AALDH1A1CHRNA7HDAC1HDAC2
SCHEMBL4823738 0.85 CHRNA7 (0.46) MEN1KMT2AKCNH2GHSRALDH1A1
SCHEMBL4822909 0.84 CTSS (0.44) CPB1CTSSCTSBCTSKCTSL
SCHEMBL8251025 0.84 CNR2 (0.50) MEN1KMT2AKCNH2GHSRALDH1A1
SCHEMBL4818315 0.84 GHSR (0.46) MEN1KMT2AKCNH2GHSRALDH1A1
SCHEMBL4825563 0.84 CHRNA7 (0.46) MEN1KMT2AKCNH2GHSRALDH1A1

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 8 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-7358373-B2 Cathepsin K inhibitors ROCHE PALO ALTO LLC (US) 2008-04-15 — — US 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
US-20070032484-A1 Cathepsin K inhibitors ROCHE PALO ALTO LLC 2007-02-08 — — 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 CPB1 51/4885CASP3 456/4885CTSS 2/4885

“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.

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