SCHEMBL425433

SCHEMBL425433

[CH2]CN1CCC(N2CCCCC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.45
ALDH1A1 P00352 2/20 0.45
TSHR P16473 1/20 0.45
RECQL P46063 1/20 0.45
L3MBTL3 Q96JM7 5/20 0.42
HRH3 Q9Y5N1 3/20 0.41
KDM4E B2RXH2 1/20 0.41
KDM1A O60341 1/20 0.41
MBTD1 Q05BQ5 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
SCHEMBL20262879 0.98 L3MBTL1 (0.43) L3MBTL1ALDH1A1TSHRRECQLL3MBTL3
SCHEMBL427383 0.82 SIGMAR1 (0.47) ALDH1A1TSHRKDM4E
SCHEMBL2203366 0.81 L3MBTL1 (0.47) L3MBTL1ALDH1A1TSHRRECQLL3MBTL3
SCHEMBL25413163 0.79 SIGMAR1 (0.41) ALDH1A1TSHRKDM4E
SCHEMBL1775624 0.79 SIGMAR1 (0.44) ALDH1A1TSHRKDM4E
SCHEMBL1406665 0.78 KDM1A (0.36) ALDH1A1KDM4EKDM1A
SCHEMBL1161434 0.77 KMT2A (0.49) L3MBTL1ALDH1A1TSHRRECQLL3MBTL3
SCHEMBL13804467 0.77 KMT2A (0.49) L3MBTL1ALDH1A1TSHRRECQLL3MBTL3
SCHEMBL12464314 0.77 L3MBTL1 (0.41) L3MBTL1ALDH1A1TSHRRECQLL3MBTL3
SCHEMBL21949873 0.74 L3MBTL1 (0.43) L3MBTL1ALDH1A1TSHRRECQLL3MBTL3

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-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-01-26 US disclosed
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2009-02-05 US disclosed
EP-1802612-A1 NOVEL B1 BRADYKININ RECEPTOR ANTAGONISTS Amgen, Inc (US) 2007-07-04 EP disclosed
EP-1688420-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2006-08-09 EP disclosed
WO-2006044412-A1 NOVEL B1 BRADYKININ RECEPTOR ANTAGONISTS AMGEN INC. (US) 2006-04-27 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 (2 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-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor GTF3C5, ZC3HAV1, POLI L3MBTL1 4165/4885ALDH1A1 596/4885TSHR 4648/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI L3MBTL1 4165/4885ALDH1A1 596/4885TSHR 4648/4885

“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.