SCHEMBL4825296

SCHEMBL4825296

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

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 1/20 0.48
▸ MCL1 Q07820 1/20 0.43
▸ CNR2 P34972 2/20 0.42
▸ GHSR Q92847 2/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ KDM4E B2RXH2 3/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ATM Q13315 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ CCKAR P32238 1/20 0.40
▸ CCKBR P32239 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ PHGDH O43175 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
SCHEMBL4826808 0.99 CHRNA7 (0.48) CHRNA7MCL1CNR2GHSRKCNH2
SCHEMBL14193441 0.88 CHRNA7 (0.51) CHRNA7MCL1CNR2GHSRKCNH2
SCHEMBL8248425 0.87 CHRNA7 (0.54) CHRNA7MCL1CNR2GHSRKCNH2
SCHEMBL5258047 0.87 CHRNA7 (0.54) CHRNA7MCL1CNR2GHSRKCNH2
SCHEMBL6750613 0.87 CHRNA7 (0.54) CHRNA7MCL1CNR2GHSRKCNH2
SCHEMBL6754251 0.85 CHRNA7 (0.53) CHRNA7MCL1CNR2GHSRKCNH2
SCHEMBL8252421 0.84 CHRNA7 (0.52) CHRNA7MCL1CNR2GHSRKCNH2
SCHEMBL4825809 0.84 CHRNA7 (0.46) CHRNA7MCL1CNR2GHSRKCNH2
SCHEMBL8251025 0.83 CNR2 (0.50) CHRNA7MCL1CNR2GHSRKCNH2
SCHEMBL4826756 0.83 CHRNA7 (0.47) CHRNA7MCL1CNR2GHSRKCNH2

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 CHRNA7 3660/4885MCL1 921/4885CNR2 1352/4885

“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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