SCHEMBL4598783

SCHEMBL4598783

N[C@H]1CCCC[C@H]1C(=O)NCc1ccc2ccccc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 2/20 0.47
▸ HDAC2 Q92769 2/20 0.47
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ ADORA2A P29274 2/20 0.44
▸ ADORA1 P30542 1/20 0.44
▸ CACNA1G O43497 4/20 0.42
▸ CACNA1H O95180 4/20 0.42
▸ CACNA1B Q00975 1/20 0.42
▸ HTT P42858 1/20 0.41
▸ KDM1A O60341 1/20 0.41
▸ MAOA P21397 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ FAAH O00519 1/20 0.41
▸ ALOX5 P09917 2/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL4598779 0.88 KDM4E (0.47) HDAC1HDAC2NPC1RAB9AKDM4E
SCHEMBL4825556 0.80 HPGD (0.44) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL4817697 0.79 HPGD (0.57) KDM4EHPGDCYP1A2CYP3A4CYP2D6
SCHEMBL4824951 0.77 CACNA1G (0.41) KDM4EALDH1A1HPGDHSD17B10CACNA1G
SCHEMBL4827419 0.75 ADAM17 (0.44) —
SCHEMBL15578063 0.72 HDAC1 (0.61) HDAC1HDAC2ALDH1A1ADORA2AADORA1
Hydrochloric Acid SCHEMBL7759993 0.72 F2 (0.64) NPC1RAB9AALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL7759997 0.72 F2 (0.64) NPC1RAB9AALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL7759991 0.72 F2 (0.64) NPC1RAB9AALDH1A1HPGDHSD17B10
SCHEMBL4611708 0.72 RAB9A (0.51) HDAC1HDAC2RAB9AKDM4EALDH1A1

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-20070032484-A1 Cathepsin K inhibitors ROCHE PALO ALTO LLC 2007-02-08 — — US claimed
EP-1910286-A2 CATHEPSIN K INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-04-16 — — EP 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
WO-2007014839-A2 CATHEPSIN K INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-02-08 — — WO 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 HDAC1 74/4885HDAC2 216/4885NPC1 68/4885

“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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