SCHEMBL791880

SCHEMBL791880

Cc1ccccc1NCCN1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.61
MAPT P10636 3/20 0.58
HTT P42858 2/20 0.58
HRH3 Q9Y5N1 1/20 0.54
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
ACHE P22303 2/20 0.52
ACP1 P24666 1/20 0.49
SMARCA2 P51531 1/20 0.49
KAT2B Q92831 1/20 0.48
POLB P06746 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
LMNA P02545 1/20 0.47
APAF1 O14727 1/20 0.47
NPC1 O15118 1/20 0.47
NSD2 O96028 1/20 0.47
RAB9A P51151 1/20 0.47
BLM P54132 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL4922627 0.98 DRD3 (0.63) DRD3MAPTHTTHRH3MEN1
SCHEMBL11035949 0.90 HRH3 (0.56) DRD3MAPTHTTHRH3KMT2A
SCHEMBL13500541 0.84 KDM4E (0.55) MAPTHTTMEN1KMT2AACHE
SCHEMBL22407643 0.81 ACHE (0.50) DRD3HRH3ACHEKAT2BPOLB
SCHEMBL5884397 0.80 DRD3 (0.57) DRD3MAPTHTTHRH3MEN1
SCHEMBL76865 0.78 RAD52 (0.56) DRD3MAPTHRH3MEN1KMT2A
SCHEMBL4932077 0.78 MEN1 (0.61) DRD3MAPTHTTHRH3MEN1
SCHEMBL5770043 0.78 DRD3 (0.59) DRD3MAPTHTTHRH3MEN1
SCHEMBL11722763 0.78 DRD3 (0.59) DRD3MAPTHTTHRH3MEN1
SCHEMBL4930910 0.78 ACHE (0.62) DRD3HRH3MEN1KMT2AACHE

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-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
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

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 DRD3 4250/4885MAPT 3389/4885HTT 1606/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 DRD3 4250/4885MAPT 3389/4885HTT 1606/4885

“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.