SCHEMBL4611701

SCHEMBL4611701

NC(=O)[C@H]1CCCC[C@H]1C(=O)NCc1cc2ccccc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.51
▸ SSTR3 P32745 1/20 0.51
▸ MTNR1A P48039 2/20 0.44
▸ MTNR1B P49286 2/20 0.44
▸ IDO1 P14902 2/20 0.43
▸ F2 P00734 1/20 0.43
▸ METTL3 Q86U44 1/20 0.42
▸ METTL14 Q9HCE5 1/20 0.42
▸ HDAC3 O15379 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ LOXL2 Q9Y4K0 1/20 0.41
▸ GID4 Q8IVV7 1/20 0.41
▸ ADAMTS4 O75173 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ OPRK1 P41145 1/20 0.40

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
SCHEMBL4611708 0.88 RAB9A (0.51) RAB9ASSTR3MTNR1AMTNR1BIDO1
SCHEMBL4826176 0.74 SSTR3 (0.52) RAB9ASSTR3METTL3METTL14HDAC1
SCHEMBL4825551 0.74 HPGD (0.47) F2KDM4EALDH1A1
SCHEMBL3560619 0.73 IDO1 (0.58) RAB9ASSTR3MTNR1AMTNR1BIDO1
SCHEMBL11856052 0.72 LOXL2 (0.56) MTNR1AMTNR1BIDO1METTL3METTL14
SCHEMBL4598779 0.72 KDM4E (0.47) RAB9AF2HDAC1HDAC2KDM4E
SCHEMBL13415981 0.72 MTNR1A (0.73) RAB9AMTNR1AMTNR1BIDO1METTL3
SCHEMBL13936946 0.72 IDO1 (0.57) MTNR1AMTNR1BIDO1METTL3METTL14
SCHEMBL22603984 0.71 SSTR3 (0.73) SSTR3IDO1LOXL2OPRK1
SCHEMBL22584092 0.71 SSTR3 (0.73) SSTR3IDO1LOXL2OPRK1

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 5 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
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 RAB9A 407/4885SSTR3 1379/4885MTNR1A 384/4885

“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.

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