SCHEMBL4825551

SCHEMBL4825551

NC(=O)[C@H]1CCCC[C@H]1C(=O)NCc1cc2ccccc2cn1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ F2 P00734 3/20 0.43
▸ GRM4 Q14833 1/20 0.40
▸ KDM4C Q9H3R0 1/20 0.39
▸ TAAR1 Q96RJ0 3/20 0.39
▸ TACR1 P25103 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ RECQL P46063 1/20 0.37
▸ SCN9A Q15858 1/20 0.36

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
SCHEMBL4825556 0.88 HPGD (0.44) HPGDKDM4EALDH1A1HSD17B10F2
SCHEMBL4817684 0.80 HPGD (0.57) HPGDKDM4ESMN1; SMN2RECQL
SCHEMBL4598779 0.80 KDM4E (0.47) HPGDKDM4EALDH1A1HSD17B10F2
SCHEMBL4819428 0.74 ADAM17 (0.44) —
SCHEMBL4611701 0.74 RAB9A (0.51) KDM4EALDH1A1F2
SCHEMBL15577710 0.73 MAPK1 (0.46) KDM4EALDH1A1TACR1SMN1; SMN2
SCHEMBL4824944 0.71 HSD17B10 (0.42) HPGDKDM4EALDH1A1HSD17B10F2
SCHEMBL4598287 0.71 ALOX5AP (0.60) HPGDALDH1A1HSD17B10TAAR1SMN1; SMN2
SCHEMBL4821439 0.70 RAB9A (0.67) HPGDALDH1A1TAAR1SMN1; SMN2
SCHEMBL4827389 0.68 HPGD (0.67) HPGDALDH1A1SMN1; SMN2SCN9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070032484-A1 Cathepsin K inhibitors ROCHE PALO ALTO LLC 2007-02-08 — — US claimed
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

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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