SCHEMBL4597877

SCHEMBL4597877

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

nearest known ligand 0.81

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.65
ALDH1A1 P00352 2/20 0.61
KMT2A Q03164 1/20 0.61
EPHX1 P07099 2/20 0.57
FKBP1A P62942 5/20 0.54
GLA P06280 1/20 0.53
HSD17B10 Q99714 2/20 0.51
CASP1 P29466 1/20 0.51
F2 P00734 1/20 0.49
TRPV1 Q8NER1 1/20 0.49
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL4819679 0.96 TAAR1 (0.67) TAAR1ALDH1A1KMT2AEPHX1FKBP1A
SCHEMBL4821836 0.91 TAAR1 (0.79) TAAR1ALDH1A1KMT2AEPHX1GLA
SCHEMBL4597880 0.87 TAAR1 (0.61) TAAR1ALDH1A1KMT2AEPHX1FKBP1A
SCHEMBL13743588 0.86 TAAR1 (0.77) TAAR1ALDH1A1KMT2AEPHX1FKBP1A
SCHEMBL4819683 0.83 TAAR1 (0.63) TAAR1ALDH1A1KMT2AEPHX1FKBP1A
SCHEMBL4598119 0.82 TAAR1 (0.58) TAAR1ALDH1A1KMT2AGLAHSD17B10
SCHEMBL3267496 0.81 MC4R (0.62) TAAR1ALDH1A1KMT2AEPHX1FKBP1A
SCHEMBL3267405 0.81 MC4R (0.62) TAAR1ALDH1A1KMT2AEPHX1FKBP1A
SCHEMBL3923366 0.81 MC4R (0.62) TAAR1ALDH1A1KMT2AEPHX1FKBP1A
SCHEMBL3267409 0.81 MC4R (0.62) TAAR1ALDH1A1KMT2AEPHX1FKBP1A

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.