SCHEMBL4825318

SCHEMBL4825318

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.44
CHRNA7 P36544 1/20 0.43
PHGDH O43175 3/20 0.41
GHSR Q92847 2/20 0.40
KCNH2 Q12809 1/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
TACR1 P25103 2/20 0.39
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
MCL1 Q07820 1/20 0.38
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL8252425 0.90 CNR2 (0.43) CNR2CHRNA7PHGDHGHSRKCNH2
SCHEMBL14565659 0.87 CHRNA7 (0.45) CNR2CHRNA7PHGDHGHSRKCNH2
SCHEMBL14565675 0.85 CHRNA7 (0.43) CNR2CHRNA7GHSR
SCHEMBL5258475 0.84 CTSS (0.44) CNR2CHRNA7PHGDHGHSRKCNH2
SCHEMBL8251025 0.84 CNR2 (0.50) CNR2CHRNA7GHSRKCNH2CYP2C19
SCHEMBL6839099 0.83 CNR2 (0.45) CNR2CHRNA7PHGDHGHSRKCNH2
SCHEMBL14193441 0.82 CHRNA7 (0.51) CNR2CHRNA7PHGDHGHSRKCNH2
SCHEMBL5254568 0.81 TRPA1 (0.46) CNR2CHRNA7PHGDHGHSRKCNH2
SCHEMBL5254573 0.81 TRPA1 (0.46) CNR2CHRNA7PHGDHGHSRKCNH2
SCHEMBL5254825 0.81 CTSS (0.42) CNR2CHRNA7PHGDHGHSRKCNH2

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 CNR2 1352/4885CHRNA7 3660/4885PHGDH 4172/4885

“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.