SCHEMBL792123

SCHEMBL792123

CCN(C)CC(=O)N1CCN(CC)CC1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.46
ALDH1A1 P00352 3/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 1/20 0.42
RAB9A P51151 1/20 0.42
KDM4E B2RXH2 2/20 0.40
HTR1A P08908 1/20 0.39

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
SCHEMBL12359193 0.85 HSD11B1 (0.49) HSD11B1ALDH1A1KMT2AMEN1RAB9A
SCHEMBL14079949 0.85 HTR1A (0.55) ALDH1A1KMT2AKDM4EHTR1A
SCHEMBL18909342 0.82 L3MBTL1 (0.42) ALDH1A1KMT2AMEN1KDM4EHTR1A
SCHEMBL20842266 0.81 HTR1A (0.39) ALDH1A1KMT2AMEN1KDM4EHTR1A
SCHEMBL14079954 0.78 POLB (0.49) ALDH1A1RAB9A
SCHEMBL18330458 0.76 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1RAB9AKDM4E
SCHEMBL5812240 0.76 HSD11B1 (0.51) HSD11B1ALDH1A1KMT2AMEN1RAB9A
SCHEMBL84852 0.76 HSD11B1 (0.55) HSD11B1ALDH1A1KMT2AMEN1RAB9A
SCHEMBL12141608 0.74 HSD11B1 (0.53) HSD11B1ALDH1A1KMT2AMEN1RAB9A
SCHEMBL19312148 0.74 HTR1A (0.50) KMT2AHTR1A

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-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 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 (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-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 HSD11B1 1382/4885ALDH1A1 750/4885KMT2A 1865/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 HSD11B1 1382/4885ALDH1A1 750/4885KMT2A 1865/4885

“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.