SCHEMBL4825556

SCHEMBL4825556

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

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ CACNA1G O43497 4/20 0.44
▸ CACNA1H O95180 4/20 0.44
▸ CACNA1B Q00975 1/20 0.44
▸ DPP4 P27487 1/20 0.39
▸ KDM4C Q9H3R0 1/20 0.39
▸ TACR1 P25103 1/20 0.39
▸ F2 P00734 1/20 0.38
▸ RECQL P46063 1/20 0.37
▸ TAAR1 Q96RJ0 2/20 0.36
▸ CTSC P53634 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 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
SCHEMBL4825551 0.88 HPGD (0.47) HPGDKDM4EHSD17B10ALDH1A1KDM4C
SCHEMBL4817697 0.80 HPGD (0.57) HPGDKDM4ERECQLMAPK1
SCHEMBL4598783 0.80 HDAC1 (0.47) HPGDKDM4EHSD17B10ALDH1A1CACNA1G
SCHEMBL4819428 0.76 ADAM17 (0.44) —
SCHEMBL4611708 0.74 RAB9A (0.51) KDM4EALDH1A1CACNA1GCACNA1HCACNA1B
SCHEMBL15577710 0.73 MAPK1 (0.46) KDM4EALDH1A1TACR1MAPK1NPC1
Hydrochloric Acid SCHEMBL7759997 0.71 F2 (0.64) HPGDHSD17B10ALDH1A1F2TAAR1
Hydrochloric Acid SCHEMBL7759991 0.71 F2 (0.64) HPGDHSD17B10ALDH1A1F2TAAR1
Hydrochloric Acid SCHEMBL7759993 0.71 F2 (0.64) HPGDHSD17B10ALDH1A1F2TAAR1
SCHEMBL4824951 0.71 CACNA1G (0.41) HPGDKDM4EHSD17B10ALDH1A1CACNA1G

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 2332/4885HSD17B10 2429/4885

“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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