SCHEMBL771576

SCHEMBL771576

COCC1CCCN(C(=O)CCl)C1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
LMNA P02545 1/20 0.61
POLB P06746 3/20 0.45
NPC1 O15118 3/20 0.41
VNN1 O95497 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 3/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 2/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
HPGD P15428 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
SCHEMBL771575 1.00 ALDH1A1 (0.61) ALDH1A1LMNAPOLBNPC1VNN1
SCHEMBL771995 0.86 ALDH1A1 (0.56) ALDH1A1LMNAPOLBHTTSMN1; SMN2
SCHEMBL771994 0.86 ALDH1A1 (0.56) ALDH1A1LMNAPOLBHTTSMN1; SMN2
SCHEMBL12522186 0.85 POLB (0.46) ALDH1A1LMNAPOLBNPC1VNN1
SCHEMBL10305045 0.85 POLB (0.46) ALDH1A1LMNAPOLBNPC1VNN1
SCHEMBL10283553 0.85 POLB (0.46) ALDH1A1LMNAPOLBNPC1VNN1
SCHEMBL24182540 0.83 ALDH1A1 (0.65) ALDH1A1LMNAPOLBHTTSMN1; SMN2
SCHEMBL30720653 0.83 POLB (0.51) ALDH1A1LMNAPOLBNPC1SMN1; SMN2
SCHEMBL12522189 0.81 CYP4F2 (0.46) ALDH1A1POLBNPC1VNN1KMT2A
SCHEMBL3655590 0.81 POLB (0.44) ALDH1A1LMNAPOLBNPC1VNN1

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-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
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 ALDH1A1 750/4885LMNA 4323/4885POLB 77/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 ALDH1A1 750/4885LMNA 4323/4885POLB 77/4885

“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.