SCHEMBL4598121

SCHEMBL4598121

N[C@H]1CCCC[C@H]1C(=O)NCCNCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.54
HTT P42858 1/20 0.51
F2 P00734 1/20 0.49
MC4R P32245 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
HPGD P15428 3/20 0.47
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
GLA P06280 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SCN9A Q15858 1/20 0.44
EPHX1 P07099 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 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
SCHEMBL4598119 0.87 TAAR1 (0.58) TAAR1HTTF2MC4RNPC1
SCHEMBL4821845 0.85 TAAR1 (0.74) TAAR1MC4RNPC1RAB9AALDH1A1
Hydrochloric Acid SCHEMBL7759991 0.83 F2 (0.64) TAAR1F2MC4RNPC1RAB9A
Hydrochloric Acid SCHEMBL7759997 0.83 F2 (0.64) TAAR1F2MC4RNPC1RAB9A
Hydrochloric Acid SCHEMBL7759993 0.83 F2 (0.64) TAAR1F2MC4RNPC1RAB9A
SCHEMBL4819683 0.83 TAAR1 (0.63) TAAR1ALDH1A1KMT2AEPHX1
SCHEMBL4597880 0.82 TAAR1 (0.61) TAAR1ALDH1A1KMT2AGLAEPHX1
SCHEMBL4598776 0.81 EPHX1 (0.56) TAAR1NPC1RAB9AHPGDALDH1A1
SCHEMBL4825255 0.81 SMN1; SMN2 (0.52) TAAR1MC4RRAB9AHPGDALDH1A1
SCHEMBL4825552 0.77 USP2 (0.47) TAAR1RAB9AUSP2ALDH1A1MEN1

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 6 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
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 TAAR1 2307/4885HTT 1720/4885F2 2012/4885

“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.