SCHEMBL4827419

SCHEMBL4827419

Cn1c(C(=O)N[C@H]2CCCC[C@H]2C(=O)NCc2ccc3ccccc3n2)cc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 4/20 0.44
▸ CHRNA7 P36544 1/20 0.42
▸ HCRTR1 O43613 5/20 0.41
▸ HCRTR2 O43614 4/20 0.41
▸ SSTR3 P32745 1/20 0.40
▸ CCKAR P32238 1/20 0.39
▸ CCKBR P32239 1/20 0.39
▸ GHSR Q92847 1/20 0.39

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
SCHEMBL4825614 0.86 HPGD (0.46) ADAM17CHRNA7GHSR
SCHEMBL4825167 0.86 CHRNA7 (0.40) ADAM17CHRNA7CCKARCCKBRGHSR
SCHEMBL4819428 0.86 ADAM17 (0.44) ADAM17CHRNA7CCKARCCKBRGHSR
SCHEMBL4826756 0.82 CHRNA7 (0.47) CHRNA7CCKARCCKBRGHSR
SCHEMBL8251025 0.82 CNR2 (0.50) CHRNA7GHSR
SCHEMBL4822006 0.82 CHRNA7 (0.47) CHRNA7CCKARCCKBRGHSR
SCHEMBL4823902 0.82 CHRNA7 (0.47) CHRNA7CCKARCCKBRGHSR
SCHEMBL4826753 0.81 CHRNA7 (0.45) CHRNA7GHSR
SCHEMBL5259022 0.81 CHRNA7 (0.46) CHRNA7GHSR
SCHEMBL4825563 0.81 CHRNA7 (0.46) CHRNA7CCKARCCKBRGHSR

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-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

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 ADAM17 171/4885CHRNA7 3660/4885HCRTR1 1322/4885

“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.

Send feedback