SCHEMBL4824944

SCHEMBL4824944

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ F2 P00734 3/20 0.40
▸ P2RX7 Q99572 4/20 0.38
▸ ADRA2A P08913 4/20 0.37
▸ ADRA2B P18089 4/20 0.37
▸ ADRA2C P18825 4/20 0.37
▸ GRM4 Q14833 1/20 0.37
▸ KMT2A Q03164 1/20 0.35
▸ TAAR1 Q96RJ0 1/20 0.34
▸ CASP1 P29466 1/20 0.34

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
SCHEMBL4824951 0.88 CACNA1G (0.41) HSD17B10ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL4598779 0.77 KDM4E (0.47) HSD17B10ALDH1A1KDM4EHPGDF2
SCHEMBL4817684 0.73 HPGD (0.57) KDM4EHPGDSMN1; SMN2KMT2A
SCHEMBL4825167 0.72 CHRNA7 (0.40) —
SCHEMBL4825551 0.71 HPGD (0.47) HSD17B10ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL4598783 0.65 HDAC1 (0.47) HSD17B10ALDH1A1KDM4EHPGD
SCHEMBL4206586 0.65 ADRA2A (0.47) KDM4ESMN1; SMN2ADRA2AADRA2BADRA2C
SCHEMBL8249471 0.65 ADRA2A (0.47) ALDH1A1KDM4ESMN1; SMN2ADRA2AADRA2B
SCHEMBL4611701 0.64 RAB9A (0.51) ALDH1A1KDM4EF2
SCHEMBL18248744 0.64 ADRA2A (0.54) ALDH1A1KDM4ESMN1; SMN2ADRA2AADRA2B

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 HSD17B10 2429/4885ALDH1A1 1616/4885KDM4E 2332/4885

“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.

Send feedback