SCHEMBL4178195

SCHEMBL4178195

CC(C)NC1CC[N]CC1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.32
MDM2 Q00987 1/20 0.32
DRD2 P14416 1/20 0.30
DRD3 P35462 1/20 0.30

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
SCHEMBL1490114 0.85
SCHEMBL5337557 0.80
SCHEMBL16171239 0.80 MDM2 (0.41) GAAL3MBTL1IRAK4MDM2DRD2
SCHEMBL681668 0.80
SCHEMBL18458286 0.80 MDM2 (0.41) GAAL3MBTL1IRAK4MDM2DRD2
SCHEMBL2600363 0.80 MDM2 (0.41) GAAL3MBTL1IRAK4MDM2DRD2
SCHEMBL4215560 0.80 CA12 (0.38) GAAL3MBTL1IRAK4
SCHEMBL18684792 0.77 GAA (0.43) GAAL3MBTL1IRAK4MDM2DRD2
Hydrochloric Acid SCHEMBL15847512 0.77
SCHEMBL104716 0.77

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002023784-A2 CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-03-21 WO claimed
US-20090227601-A1 Bradykinin 1 Receptor Antagonists AMGEN INC. (US) 2009-09-10 US disclosed
US-7125877-B2 Benzimidazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-10-24 US disclosed
US-6969712-B2 Benzimidazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-29 US disclosed
EP-1505063-A1 BENZIMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-02-09 EP disclosed
US-20040044056-A1 Benzimidazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-03-04 US disclosed
US-20030236267-A1 Benzimidazole derivatives MSD K.K. (JP) 2003-12-25 US disclosed
EP-1342717-A1 BENZIMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-09-10 EP disclosed
WO-2002023784-A2 CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-03-21 WO disclosed
US-6300331-B1 DRUGS AS ANTITUMOR AGENTS OR ANTICARCINOGENIC AGENTS TAIHO PHARMACEUTICAL CO., LTD. (JP) 2001-10-09 US disclosed
EP-1020446-A1 NAPHTHALIMIDOBENZAMIDE DERIVATIVES TAIHO PHARMACEUTICAL CO., LTD. (JP) 2000-07-19 EP disclosed
US-5618814-A Trisubstituted pyrimido [5,4-d] pyrimidines for modulating multi-drug resistance and pharmaceutical compositions containing these compounds DR. KARL THOMAE GMBH (DE) 1997-04-08 US 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 (3 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-20030236267-A1 Benzimidazole derivatives OPRL1, GPR119, NPBWR1 GAA 2703/4885L3MBTL1 810/4885IRAK4 1907/4885
US-20090227601-A1 Bradykinin 1 Receptor Antagonists BDKRB1, BDKRB2, VIPR1 GAA 3687/4885L3MBTL1 1537/4885IRAK4 857/4885
US-20040044056-A1 Benzimidazole derivatives GPR119, OPRL1, INSR GAA 1713/4885L3MBTL1 683/4885IRAK4 1441/4885

“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.