SCHEMBL771690

SCHEMBL771690

[CH2]CC1CCN(CCC)CC1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.44
GNAO1 P09471 3/20 0.40
EPHX1 P07099 1/20 0.39
EPHX2 P34913 1/20 0.39
GNAI3 P08754 2/20 0.38
GNAI1 P63096 2/20 0.38
SLC6A4 P31645 2/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL8497492 0.84 GNAO1 (0.59) GNAO1GNAI3GNAI1KCNH2
SCHEMBL8495906 0.84 GNAO1 (0.59) GNAO1GNAI3GNAI1KCNH2
SCHEMBL3948738 0.83 GNAO1 (0.45) DRD2GNAO1EPHX1EPHX2
SCHEMBL31273842 0.81 DRD2 (0.47) DRD2GNAO1EPHX1EPHX2GNAI3
SCHEMBL10076885 0.81 DRD2 (0.47) DRD2GNAO1EPHX1EPHX2GNAI3
SCHEMBL772530 0.81 SMN1; SMN2 (0.43) EPHX1EPHX2
SCHEMBL4665976 0.79 CHRM5 (0.34)
SCHEMBL7741719 0.79 GNAO1 (0.49) DRD2GNAO1EPHX1EPHX2GNAI3
SCHEMBL4667715 0.79 CHRM5 (0.39)
SCHEMBL6444126 0.77 DRD2 (0.47) DRD2GNAO1EPHX1EPHX2GNAI3

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
EP-1719773-B1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC (JP) 2009-04-15 EP disclosed
WO-2009024825-A1 2-PYRAZINYLBENZIMIDAZOLE DERIVATIVES AS RECEPTOR TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2009-02-26 WO 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 DRD2 4479/4885GNAO1 3798/4885EPHX1 3653/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 DRD2 4479/4885GNAO1 3798/4885EPHX1 3653/4885

“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.