SCHEMBL4826885

SCHEMBL4826885

Cn1c(C(=O)N[C@H]2CCCC[C@H]2C(=O)NCCOc2ccccc2)cc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ EPHX2 P34913 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ KCNH2 Q12809 1/20 0.45
▸ GHSR Q92847 1/20 0.45
▸ CHRNA7 P36544 1/20 0.43
▸ DRD2 P14416 2/20 0.42
▸ DRD3 P35462 2/20 0.42
▸ HTR1A P08908 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ HTR2C P28335 1/20 0.42
▸ CNR2 P34972 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ ALOX15 P16050 1/20 0.41

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
SCHEMBL4818315 0.88 GHSR (0.46) SMN1; SMN2KCNH2GHSRCHRNA7DRD2
SCHEMBL8251025 0.87 CNR2 (0.50) SMN1; SMN2NPC1RAB9AKCNH2GHSR
SCHEMBL4817689 0.86 TAAR1 (0.52) SMN1; SMN2KCNH2GHSRCHRNA7CNR2
SCHEMBL4824939 0.86 MEN1 (0.46) SMN1; SMN2NPC1PKMRAB9AKCNH2
SCHEMBL4825563 0.86 CHRNA7 (0.46) SMN1; SMN2KCNH2GHSRCHRNA7CNR2
SCHEMBL4823738 0.85 CHRNA7 (0.46) SMN1; SMN2NPC1RAB9AKCNH2GHSR
SCHEMBL4823902 0.85 CHRNA7 (0.47) SMN1; SMN2NPC1RAB9AKCNH2GHSR
SCHEMBL4822710 0.84 HDAC1 (0.46) SMN1; SMN2CHRNA7CNR2MEN1KMT2A
SCHEMBL4826753 0.84 CHRNA7 (0.45) SMN1; SMN2KCNH2GHSRCHRNA7CNR2
SCHEMBL4826975 0.84 HDAC1 (0.47) SMN1; SMN2CHRNA7CNR2KMT2ATSHR

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 SMN1; SMN2 3010/4885NPC1 68/4885PKM 2477/4885

“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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