SCHEMBL772733

SCHEMBL772733

[CH2]CN1CCC[C@@H](CCO)C1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.36
AKR1C3 P42330 1/20 0.35
MAOB P27338 2/20 0.33
CHRM5 P08912 1/20 0.33
ADRA2C P18825 1/20 0.33
GBA1 P04062 1/20 0.32
LMNA P02545 1/20 0.32
SIGMAR1 Q99720 2/20 0.31
MAPT P10636 1/20 0.31
ACHE P22303 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
BRD4 O60885 1/20 0.31
ESR2 Q92731 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
SCHEMBL7655261 0.85 ACHE (0.35) CYP2D6AKR1C3MAOBCHRM5ADRA2C
SCHEMBL772309 0.84 CYP2D6 (0.47) CYP2D6CHRM5ADRA2CGBA1MAPT
SCHEMBL4377471 0.81 HSD11B1 (0.39) CYP2D6AKR1C3MAPTBRD4
SCHEMBL28250446 0.81 HSD11B1 (0.39) CYP2D6AKR1C3MAPTBRD4
SCHEMBL771338 0.81 LSS (0.33) MAOBCHRM5ADRA2C
SCHEMBL25049533 0.78 DRD3 (0.45) SIGMAR1
SCHEMBL2444587 0.78 NCF1 (0.37) CYP2D6CHRM5ADRA2C
SCHEMBL4374426 0.77 MAOB (0.40) CYP2D6AKR1C3MAOBCHRM5ADRA2C
SCHEMBL771718 0.77 SIGMAR1 (0.37) MAOBCHRM5ADRA2CSIGMAR1
SCHEMBL772454 0.77 MAPT (0.32) MAOBCHRM5ADRA2CMAPT

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 6 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
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 CYP2D6 1478/4885AKR1C3 2387/4885MAOB 2789/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 CYP2D6 1478/4885AKR1C3 2387/4885MAOB 2789/4885

“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.