SCHEMBL792066

SCHEMBL792066

CC(=O)c1ccc2c(C)c3n(c2c1)CCc1ccccc1-3

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 15/20 0.47
MTNR1B P49286 15/20 0.47
KDM4E B2RXH2 1/20 0.40
RECQL P46063 1/20 0.40
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
MAPK1 P28482 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 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
SCHEMBL792361 0.78 ALDH1A1 (0.41) MAPTPKMMAPK1NPC1RAB9A
SCHEMBL14572847 0.77 MTNR1A (0.32) MTNR1AMTNR1BKDM4ERECQL
SCHEMBL792549 0.73 SLC22A12 (0.33) KDM4EMAPTNPC1RAB9A
SCHEMBL772588 0.73 MTNR1A (0.43) MTNR1AMTNR1BKDM4EMAPT
SCHEMBL772130 0.71 PRKCA (0.53) MTNR1AMTNR1B
SCHEMBL792496 0.71 GAA (0.41) KDM4EMAPTMAPK1NPC1RAB9A
SCHEMBL772587 0.71 SCN9A (0.47) MTNR1AMTNR1B
SCHEMBL792527 0.70 ALDH1A1 (0.41) MAPTMAPK1NPC1RAB9A
SCHEMBL13286272 0.70 PRKCA (0.44) KDM4EMAPTMAPK1
SCHEMBL8941746 0.68 SRD5A2 (0.72) MAPTNPC1RAB9A

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 3 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-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 MTNR1A 4311/4885MTNR1B 4142/4885KDM4E 2725/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 MTNR1A 4311/4885MTNR1B 4142/4885KDM4E 2725/4885

“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.