SCHEMBL772825

SCHEMBL772825

[CH2]CN1CCN(C(=O)COC)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
ALDH1A1 P00352 5/20 0.43
CYP2D6 P10635 8/20 0.42
CYP1A2 P05177 3/20 0.41
CYP3A4 P08684 5/20 0.40
TSHR P16473 4/20 0.40
CYP2C9 P11712 3/20 0.40
CYP2C19 P33261 3/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.40
USP2 O75604 4/20 0.38
MAPK1 P28482 2/20 0.38
TP53 P04637 1/20 0.38
HIF1A Q16665 1/20 0.38
NAMPT P43490 1/20 0.37

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
SCHEMBL8402970 0.85 ALDH1A1 (0.51) MAPTALDH1A1CYP2D6CYP1A2CYP3A4
SCHEMBL14010813 0.85
SCHEMBL12337282 0.82 KMT2A (0.49) MAPTALDH1A1CYP2D6CYP1A2KMT2A
SCHEMBL508613 0.82 MAPT (0.46) MAPTALDH1A1CYP2D6CYP1A2CYP3A4
SCHEMBL24260095 0.81 TSHR (0.46) MAPTALDH1A1CYP2D6CYP1A2CYP3A4
SCHEMBL772160 0.80 MAPT (0.45) MAPTALDH1A1CYP2D6CYP1A2CYP3A4
SCHEMBL13629812 0.79 GAA (0.42) MAPTALDH1A1CYP2D6CYP1A2CYP3A4
SCHEMBL12120407 0.78 ALOX15 (0.46) MAPTALDH1A1CYP2D6CYP1A2CYP3A4
SCHEMBL22030485 0.78 MAPT (0.41) MAPTALDH1A1CYP2D6CYP1A2CYP3A4
SCHEMBL508614 0.78 GAA (0.51) MAPTALDH1A1CYP1A2GAAKMT2A

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 7 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
EP-2206715-A1 Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor Japan Tobacco, Inc. (JP) 2010-07-14 EP disclosed
US-7659263-B2 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2010-02-09 US disclosed
EP-1719773-B1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC (JP) 2009-04-15 EP disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
EP-1719773-A1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2006-11-08 EP 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 MAPT 3389/4885ALDH1A1 750/4885CYP2D6 1478/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 MAPT 3389/4885ALDH1A1 750/4885CYP2D6 1478/4885

“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.