SCHEMBL8252425

SCHEMBL8252425

CC(C)C[C@@H](CO)NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1cc2ccccc2n1C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.43
CHRNA7 P36544 1/20 0.43
KCNH2 Q12809 1/20 0.41
GHSR Q92847 1/20 0.41
PHGDH O43175 1/20 0.41
CYP2C9 P11712 5/20 0.41
TSHR P16473 4/20 0.41
CYP2C19 P33261 3/20 0.41
CYP2D6 P10635 1/20 0.41
CTSL P07711 1/20 0.40
CTSS P25774 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
F10 P00742 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL4825318 0.90 CNR2 (0.44) CNR2CHRNA7KCNH2GHSRPHGDH
SCHEMBL4818135 0.89 CHRNA7 (0.42) CNR2CHRNA7KCNH2GHSRPHGDH
SCHEMBL4818236 0.89 CHRNA7 (0.42) CNR2CHRNA7KCNH2GHSRPHGDH
SCHEMBL4822019 0.88 CHRNA7 (0.40) CNR2CHRNA7KCNH2GHSRPHGDH
SCHEMBL4862403 0.87 CTSL (0.43) CNR2CHRNA7KCNH2GHSRPHGDH
SCHEMBL4818266 0.87 CHRNA7 (0.39) CNR2CHRNA7KCNH2GHSRPHGDH
SCHEMBL4823886 0.87 CTSL (0.43) CNR2CHRNA7KCNH2GHSRPHGDH
SCHEMBL4825000 0.87 F10 (0.42) CNR2CHRNA7KCNH2GHSRPHGDH
SCHEMBL8251257 0.86 PHGDH (0.43) CNR2CHRNA7KCNH2GHSRPHGDH
SCHEMBL4821464 0.86 PHGDH (0.43) CNR2CHRNA7KCNH2GHSRPHGDH

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 5 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 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
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 CNR2 1352/4885CHRNA7 3660/4885KCNH2 2060/4885

“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.