SCHEMBL4611708

SCHEMBL4611708

N[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
▸ CACNA1G O43497 4/20 0.48
▸ CACNA1H O95180 4/20 0.48
▸ CACNA1B Q00975 1/20 0.48
▸ MTNR1A P48039 2/20 0.44
▸ MTNR1B P49286 2/20 0.44
▸ IDO1 P14902 2/20 0.43
▸ SYK P43405 1/20 0.42
▸ LRRK2 Q5S007 1/20 0.42
▸ 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
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 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
SCHEMBL4611701 0.88 RAB9A (0.51) RAB9ASSTR3MTNR1AMTNR1BIDO1
SCHEMBL4826176 0.76 SSTR3 (0.52) RAB9ASSTR3METTL3METTL14HDAC1
SCHEMBL4825556 0.74 HPGD (0.44) RAB9ACACNA1GCACNA1HCACNA1BKDM4E
SCHEMBL3560619 0.73 IDO1 (0.58) RAB9ASSTR3MTNR1AMTNR1BIDO1
SCHEMBL11856052 0.72 LOXL2 (0.56) MTNR1AMTNR1BIDO1METTL3METTL14
SCHEMBL4598783 0.72 HDAC1 (0.47) RAB9ACACNA1GCACNA1HCACNA1BHDAC1
SCHEMBL13415981 0.72 MTNR1A (0.73) RAB9AMTNR1AMTNR1BIDO1METTL3
Hydrochloric Acid SCHEMBL7759997 0.71 F2 (0.64) RAB9AALDH1A1
Hydrochloric Acid SCHEMBL7759991 0.71 F2 (0.64) RAB9AALDH1A1
Hydrochloric Acid SCHEMBL7759993 0.71 F2 (0.64) RAB9AALDH1A1

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 1379/4885CACNA1G 1217/4885

“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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