SCHEMBL6728820

SCHEMBL6728820

O=Cc1cnc2c(c1)CCCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 3/20 0.44
ADRA2B P18089 3/20 0.44
ADRA2C P18825 3/20 0.44
GAA P10253 3/20 0.38
ALDH1A1 P00352 3/20 0.37
MAPT P10636 3/20 0.37
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
HIF1A Q16665 1/20 0.33
CDC25B P30305 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
HTT P42858 2/20 0.32
LMNA P02545 2/20 0.32
TP53 P04637 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RXFP1 Q9HBX9 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
SCHEMBL28264196 0.81 ADRA2A (0.44) ADRA2AADRA2BADRA2CGAAALDH1A1
SCHEMBL29954511 0.75 PIK3CD (0.30) GAAALDH1A1MAPTMEN1HPGD
SCHEMBL26014330 0.75 PIK3CD (0.30) GAAALDH1A1MAPTMEN1HPGD
SCHEMBL27142873 0.75 MEN1 (0.30) GAAALDH1A1MAPTMEN1HPGD
SCHEMBL29957430 0.72 GRM1 (0.37) GAAALDH1A1MAPTMEN1HPGD
SCHEMBL6425767 0.72 NNMT (0.55) GAAALDH1A1MAPTMEN1HPGD
SCHEMBL2666127 0.69 ADRA2A (0.51) ADRA2AADRA2BADRA2CGAAALDH1A1
SCHEMBL4937502 0.69 ADRA2A (0.51) ADRA2AADRA2BADRA2CGAAALDH1A1
SCHEMBL20178519 0.69 ADRA2A (0.47) ADRA2AADRA2BADRA2CGAANOS3
SCHEMBL31220065 0.69 ADRA2A (0.51) ADRA2AADRA2BADRA2CGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040029879-A1 Heterocycle carboxamides as antiviral agents ANDERSON DAVID JOHN (US) 2004-02-12 US disclosed
US-6624159-B2 Herpes virus PHARMACIA & UPJOHN COMPANY 2003-09-23 US disclosed
EP-1299387-A1 HETEROCYCLE CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2003-04-09 EP disclosed
US-20020025959-A1 Heterocycle carboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-02-28 US disclosed
WO-2002004445-A1 HETEROCYCLE CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2002-01-17 WO 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-20040029879-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 ADRA2A 4723/4885ADRA2B 4745/4885ADRA2C 4656/4885
US-20020025959-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 ADRA2A 4723/4885ADRA2B 4745/4885ADRA2C 4656/4885

“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.