SCHEMBL4597880

SCHEMBL4597880

N[C@H]1CCCC[C@H]1C(=O)NCCCCc1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.61
ALDH1A1 P00352 2/20 0.61
KMT2A Q03164 1/20 0.61
EPHX1 P07099 2/20 0.57
FKBP1A P62942 7/20 0.54
GLA P06280 1/20 0.50
TRPV1 Q8NER1 1/20 0.49
HSD17B10 Q99714 2/20 0.48
CASP1 P29466 1/20 0.48
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48

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
SCHEMBL4819683 0.96 TAAR1 (0.63) TAAR1ALDH1A1KMT2AEPHX1FKBP1A
SCHEMBL4821845 0.91 TAAR1 (0.74) TAAR1ALDH1A1KMT2AEPHX1GLA
SCHEMBL4597877 0.87 TAAR1 (0.65) TAAR1ALDH1A1KMT2AEPHX1FKBP1A
SCHEMBL13743588 0.84 TAAR1 (0.77) TAAR1ALDH1A1KMT2AEPHX1FKBP1A
SCHEMBL4819679 0.83 TAAR1 (0.67) TAAR1ALDH1A1KMT2AEPHX1FKBP1A
SCHEMBL4598121 0.82 TAAR1 (0.54) TAAR1ALDH1A1KMT2AEPHX1GLA
SCHEMBL4598776 0.78 EPHX1 (0.56) TAAR1ALDH1A1EPHX1GLAHSD17B10
SCHEMBL4825255 0.78 SMN1; SMN2 (0.52) TAAR1ALDH1A1POLBGAA
SCHEMBL4827366 0.78 TSHR (0.48) ALDH1A1KMT2AHSD17B10
Hydrochloric Acid SCHEMBL7759991 0.78 F2 (0.64) TAAR1ALDH1A1EPHX1HSD17B10

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 2307/4885ALDH1A1 1616/4885KMT2A 2903/4885

“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.