SCHEMBL425652

SCHEMBL425652

[CH2]CCc1cccc(N2CCOCC2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGXT P21549 3/20 0.66
LMNA P02545 1/20 0.50
KMO O15229 1/20 0.49
SIGMAR1 Q99720 3/20 0.46
ADRA2A P08913 2/20 0.46
ADRA2B P18089 2/20 0.46
TMEM97 Q5BJF2 2/20 0.46
ADRA2C P18825 1/20 0.46
AOC3 Q16853 3/20 0.46
PLOD2 O00469 1/20 0.43
PLOD3 O60568 1/20 0.43
PLOD1 Q02809 1/20 0.43
DRD4 P21917 1/20 0.43
HRH1 P35367 1/20 0.43
HTR2B P41595 1/20 0.43
ALKBH1 Q13686 1/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42

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
SCHEMBL13725027 0.84 AGXT (0.66) AGXTLMNAKMOSIGMAR1ADRA2A
SCHEMBL8189516 0.84 AGXT (0.61) AGXTLMNAKMOSIGMAR1ADRA2A
SCHEMBL28773418 0.83 AGXT (0.57) AGXTLMNAKMOSIGMAR1ADRA2A
Hydrochloric Acid SCHEMBL5673049 0.83 AGXT (0.60) AGXTLMNAKMOSIGMAR1ADRA2A
SCHEMBL7954719 0.81 SLC13A5 (0.49) AGXTLMNAMEN1NPC1ALDH1A1
SCHEMBL22242840 0.80 AGXT (0.57) AGXTLMNAKMOSIGMAR1ADRA2A
SCHEMBL13680781 0.80 AGXT (0.57) AGXTLMNAKMOSIGMAR1ADRA2A
SCHEMBL108136 0.80 AGXT (0.69) AGXTLMNAKMOSIGMAR1ADRA2A
SCHEMBL22964326 0.80 AGXT (0.65) AGXTLMNAKMOSIGMAR1ADRA2A
SCHEMBL671148 0.80 AGXT (0.65) AGXTLMNAKMOSIGMAR1ADRA2A

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111386118-A Combination pharmaceutical agents as RSV inhibitors 英安塔制药有限公司 2020-07-07 CN 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-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-01-26 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-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2009-02-05 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
EP-1688420-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2006-08-09 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 (5 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 AGXT 584/4885LMNA 4323/4885KMO 4624/4885
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor GTF3C5, ZC3HAV1, POLI AGXT 803/4885LMNA 4306/4885KMO 4464/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI AGXT 803/4885LMNA 4306/4885KMO 4464/4885
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor TPMT, JAK2, GTF3C5 AGXT 1252/4885LMNA 4828/4885KMO 3248/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 AGXT 584/4885LMNA 4323/4885KMO 4624/4885

“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.