SCHEMBL4821963

SCHEMBL4821963

Cn1c(C(=O)N[C@H]2CCCC[C@H]2C(=O)NC2CCNC2)cc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 1/20 0.45
▸ CNR2 P34972 1/20 0.41
▸ HTR4 Q13639 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.40
▸ HSD17B10 Q99714 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ BRD4 O60885 1/20 0.40
▸ ROCK1 Q13464 1/20 0.39
▸ MCL1 Q07820 1/20 0.39
▸ GHSR Q92847 6/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ OPRM1 P35372 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KMT2A Q03164 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
SCHEMBL3598401 0.87 CHRNA7 (0.54) CHRNA7CNR2HTR4KDM4EHSD17B10
SCHEMBL3598403 0.87 CHRNA7 (0.54) CHRNA7CNR2HTR4KDM4EHSD17B10
SCHEMBL14193441 0.84 CHRNA7 (0.51) CHRNA7CNR2KDM4EHSD17B10ALDH1A1
SCHEMBL4825296 0.83 CHRNA7 (0.48) CHRNA7CNR2KDM4EHSD17B10ALDH1A1
SCHEMBL8248425 0.82 CHRNA7 (0.54) CHRNA7CNR2KDM4EHSD17B10ALDH1A1
SCHEMBL6750613 0.82 CHRNA7 (0.54) CHRNA7CNR2KDM4EHSD17B10ALDH1A1
SCHEMBL5258047 0.82 CHRNA7 (0.54) CHRNA7CNR2KDM4EHSD17B10ALDH1A1
SCHEMBL4826808 0.82 CHRNA7 (0.48) CHRNA7CNR2KDM4EHSD17B10ALDH1A1
SCHEMBL6754251 0.81 CHRNA7 (0.53) CHRNA7CNR2KDM4EHSD17B10ALDH1A1
SCHEMBL8252421 0.80 CHRNA7 (0.52) CHRNA7CNR2KDM4EHSD17B10ALDH1A1

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 6 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
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 CHRNA7 3660/4885CNR2 1352/4885HTR4 3484/4885

“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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