SCHEMBL4824951

SCHEMBL4824951

N[C@H]1CCCC[C@H]1C(=O)NCc1ccc2c(n1)CCCC2

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CACNA1G O43497 4/20 0.41
▸ CACNA1H O95180 4/20 0.41
▸ CACNA1B Q00975 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ KCNH2 Q12809 3/20 0.38
▸ SYK P43405 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ P2RX7 Q99572 2/20 0.38
▸ CTSC P53634 6/20 0.38
▸ F2 P00734 2/20 0.36
▸ ADRA2A P08913 1/20 0.35
▸ ADRA2B P18089 1/20 0.35
▸ ADRA2C P18825 1/20 0.35

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
SCHEMBL4824944 0.88 HSD17B10 (0.42) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL4598783 0.77 HDAC1 (0.47) CACNA1GCACNA1HCACNA1BKDM4EALDH1A1
SCHEMBL4825167 0.74 CHRNA7 (0.40) KCNH2
SCHEMBL4817697 0.73 HPGD (0.57) KDM4EHPGDSMN1; SMN2P2RX7
SCHEMBL4825556 0.71 HPGD (0.44) CACNA1GCACNA1HCACNA1BKDM4EALDH1A1
Hydrochloric Acid SCHEMBL7759993 0.66 F2 (0.64) ALDH1A1HPGDHSD17B10SMN1; SMN2F2
Hydrochloric Acid SCHEMBL7759997 0.66 F2 (0.64) ALDH1A1HPGDHSD17B10SMN1; SMN2F2
Hydrochloric Acid SCHEMBL7759991 0.66 F2 (0.64) ALDH1A1HPGDHSD17B10SMN1; SMN2F2
SCHEMBL4598779 0.65 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10F2
SCHEMBL4206586 0.65 ADRA2A (0.47) KDM4ESMN1; SMN2ADRA2AADRA2BADRA2C

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 CACNA1G 1217/4885CACNA1H 1350/4885CACNA1B 1278/4885

“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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