SCHEMBL4821387

SCHEMBL4821387

Cn1c(C(=O)N[C@H]2CCCC[C@H]2C(=O)NCCc2cccnc2)cc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.51
▸ GHSR Q92847 2/20 0.44
▸ TAAR1 Q96RJ0 2/20 0.41
▸ CHRNA7 P36544 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.40
▸ LMNA P02545 2/20 0.40
▸ NAMPT P43490 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ KCNH2 Q12809 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ ADORA1 P30542 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ DRD4 P21917 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
SCHEMBL4819819 0.91 HSD17B10 (0.51) IDO1GHSRTAAR1CHRNA7HSD17B10
SCHEMBL4817689 0.90 TAAR1 (0.52) GHSRTAAR1CHRNA7HSD17B10TSHR
SCHEMBL4822710 0.85 HDAC1 (0.46) TAAR1CHRNA7HSD17B10LMNATSHR
SCHEMBL4824919 0.84 STAT6 (0.46) GHSRCHRNA7SMN1; SMN2KCNH2CNR2
SCHEMBL4826975 0.84 HDAC1 (0.47) TAAR1CHRNA7LMNATSHRSMN1; SMN2
SCHEMBL8251025 0.84 CNR2 (0.50) GHSRCHRNA7HSD17B10LMNAHPGD
SCHEMBL4825563 0.83 CHRNA7 (0.46) GHSRCHRNA7HSD17B10HPGDTSHR
SCHEMBL4822931 0.82 MEN1 (0.45) GHSRTAAR1CHRNA7HSD17B10TSHR
SCHEMBL4826753 0.81 CHRNA7 (0.45) GHSRCHRNA7HSD17B10LMNAHPGD
SCHEMBL4824939 0.81 MEN1 (0.46) GHSRCHRNA7HSD17B10PKMTSHR

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 IDO1 2711/4885GHSR 686/4885TAAR1 2307/4885

“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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