SCHEMBL771610

SCHEMBL771610

N#Cc1ccc2c(C3CCCCC3)c[nH]c2n1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CAMKK2 Q96RR4 3/20 0.57
APP P05067 3/20 0.42
OPRL1 P41146 2/20 0.41
OPRM1 P35372 1/20 0.41
OPRK1 P41145 1/20 0.41
CTSK P43235 2/20 0.40
CCNE1 P24864 3/20 0.39
CDK2 P24941 3/20 0.39
CCNT1 O60563 1/20 0.39
CCNK O75909 1/20 0.39
CDK9 P50750 1/20 0.39
CDK12 Q9NYV4 1/20 0.39
CDC7 O00311 1/20 0.38
CHUK O15111 1/20 0.34
SLC6A4 P31645 1/20 0.34

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
SCHEMBL12127442 0.78 OPRL1 (0.43) CAMKK2APPOPRL1OPRM1OPRK1
SCHEMBL13886765 0.74 OPRL1 (0.43) CAMKK2APPOPRL1OPRM1OPRK1
SCHEMBL12128856 0.71 OPRL1 (0.46) CAMKK2APPOPRL1OPRM1OPRK1
SCHEMBL24584136 0.70 CAMKK2 (0.44) CAMKK2CCNE1CDK2CCNT1CCNK
SCHEMBL30204138 0.70 AXL (0.44) CAMKK2CCNE1CDK2CCNT1CCNK
SCHEMBL21178475 0.70 AXL (0.44) CAMKK2CCNE1CDK2CCNT1CCNK
SCHEMBL24584137 0.70 CAMKK2 (0.47) CAMKK2CCNE1CDK2CCNT1CCNK
SCHEMBL4420976 0.70 OPRL1 (0.71) CAMKK2OPRL1OPRM1OPRK1CDC7
SCHEMBL12597553 0.69 CDK7 (0.40) CAMKK2OPRL1OPRM1CTSKCCNE1
SCHEMBL12128851 0.69 APP (0.80) CAMKK2APPOPRL1OPRM1OPRK1

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 11 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-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
EP-2206715-A1 Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor Japan Tobacco, Inc. (JP) 2010-07-14 EP 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
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
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 CAMKK2 4477/4885APP 4570/4885OPRL1 4372/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 CAMKK2 4477/4885APP 4570/4885OPRL1 4372/4885

“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.