SCHEMBL772170

SCHEMBL772170

[CH2]COC1CCN(CC)CC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
CHRM3 P20309 1/20 0.33
NPC1 O15118 1/20 0.32
CARM1 Q86X55 2/20 0.32
PRMT6 Q96LA8 2/20 0.32
TMEM97 Q5BJF2 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
PRMT8 Q9NR22 1/20 0.32
HSD11B1 P28845 1/20 0.32

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
SCHEMBL7903518 0.82 HRH3 (0.43) HRH3SMN1; SMN2CHRM3NPC1CARM1
SCHEMBL17285631 0.78 HRH3 (0.41) HRH3SMN1; SMN2CHRM3NPC1CARM1
SCHEMBL724416 0.77 NCF1 (0.39) HRH3SMN1; SMN2CHRM3NPC1
SCHEMBL26280822 0.77 HRH3 (0.44) HRH3SMN1; SMN2SIGMAR1
SCHEMBL771630 0.76 CYP3A4 (0.43) CHRM3TMEM97SIGMAR1
SCHEMBL24661412 0.75 SMN1; SMN2 (0.41) HRH3SMN1; SMN2CHRM3NPC1CARM1
SCHEMBL21733034 0.75 SMN1; SMN2 (0.41) HRH3SMN1; SMN2CHRM3NPC1HSD11B1
SCHEMBL22793895 0.75 HRH3 (0.42) HRH3SMN1; SMN2NPC1
SCHEMBL22852605 0.75 HRH3 (0.39) HRH3SMN1; SMN2CHRM3NPC1CARM1
SCHEMBL70520 0.75 HRH3 (0.44) HRH3SMN1; SMN2CHRM3HSD11B1

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 8 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
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2006-07-27 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 (3 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 HRH3 4130/4885SMN1; SMN2 4306/4885CHRM3 4881/4885
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor TPMT, JAK2, GTF3C5 HRH3 3341/4885SMN1; SMN2 4399/4885CHRM3 4866/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 HRH3 4130/4885SMN1; SMN2 4306/4885CHRM3 4881/4885

“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.