SCHEMBL4825614

SCHEMBL4825614

Cn1c(C(=O)N[C@H]2CCCC[C@H]2C(=O)NCc2ccccn2)cc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ ACKR3 P25106 2/20 0.44
▸ CHRNA7 P36544 1/20 0.43
▸ RECQL P46063 1/20 0.42
▸ TSHR P16473 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ CASP1 P29466 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ CASP7 P55210 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ NTRK1 P04629 4/20 0.41
▸ NTRK3 Q16288 3/20 0.41
▸ GHSR Q92847 1/20 0.41
▸ ADAM17 P78536 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
SCHEMBL4824919 0.91 STAT6 (0.46) ALDH1A1ACKR3CHRNA7NPC1RAB9A
SCHEMBL4819428 0.88 ADAM17 (0.44) CHRNA7GHSRADAM17
SCHEMBL4827419 0.86 ADAM17 (0.44) CHRNA7GHSRADAM17
SCHEMBL4825167 0.84 CHRNA7 (0.40) CHRNA7GHSRADAM17
SCHEMBL8251025 0.83 CNR2 (0.50) HPGDKDM4EALDH1A1HSD17B10CHRNA7
SCHEMBL4822006 0.83 CHRNA7 (0.47) HPGDKDM4EALDH1A1HSD17B10CHRNA7
SCHEMBL4823902 0.83 CHRNA7 (0.47) HPGDKDM4EALDH1A1HSD17B10CHRNA7
SCHEMBL4826756 0.83 CHRNA7 (0.47) HPGDKDM4EALDH1A1HSD17B10CHRNA7
SCHEMBL5259022 0.82 CHRNA7 (0.46) CHRNA7GHSR
SCHEMBL4825563 0.82 CHRNA7 (0.46) HPGDKDM4EALDH1A1HSD17B10CHRNA7

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 HPGD 3156/4885KDM4E 2332/4885ALDH1A1 1616/4885

“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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