SCHEMBL4825255

SCHEMBL4825255

N[C@H]1CCCC[C@H]1C(=O)NCCNC(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
ALDH1A1 P00352 1/20 0.52
GAA P10253 1/20 0.52
RAB9A P51151 1/20 0.52
TAAR1 Q96RJ0 2/20 0.50
MC4R P32245 1/20 0.49
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
EPHX2 P34913 1/20 0.47
KDM1A O60341 1/20 0.46
HPGD P15428 1/20 0.44
DPP4 P27487 1/20 0.44

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
SCHEMBL4825242 0.86 TAAR1 (0.53) SMN1; SMN2ALDH1A1GAARAB9ATAAR1
SCHEMBL4598776 0.83 EPHX1 (0.56) SMN1; SMN2ALDH1A1GAARAB9ATAAR1
SCHEMBL4826844 0.82 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1GAARAB9ATAAR1
SCHEMBL4821845 0.82 TAAR1 (0.74) SMN1; SMN2ALDH1A1GAARAB9ATAAR1
SCHEMBL4598121 0.81 TAAR1 (0.54) SMN1; SMN2ALDH1A1RAB9ATAAR1MC4R
SCHEMBL3189768 0.80 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1GAARAB9ALMNA
SCHEMBL4819683 0.80 TAAR1 (0.63) ALDH1A1TAAR1EPHX2
SCHEMBL4825552 0.79 USP2 (0.47) SMN1; SMN2ALDH1A1RAB9ATAAR1LMNA
SCHEMBL4821449 0.78 NPC1 (0.67) SMN1; SMN2ALDH1A1RAB9ATAAR1EPHX2
SCHEMBL4597880 0.78 TAAR1 (0.61) ALDH1A1GAATAAR1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7358373-B2 Cathepsin K inhibitors ROCHE PALO ALTO LLC (US) 2008-04-15 US claimed
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 SMN1; SMN2 3010/4885ALDH1A1 1616/4885GAA 103/4885

“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.