SCHEMBL6795819

SCHEMBL6795819

COc1cccc(C(Cl)c2ccc3ncccc3c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
ALDH1A1 P00352 3/20 0.43
MET P08581 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
HTT P42858 2/20 0.42
ALOX15 P16050 1/20 0.42
TOP1 P11387 1/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41
P4HB P07237 1/20 0.41
DYRK1A Q13627 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
DOT1L Q8TEK3 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40

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
SCHEMBL6791174 0.86 KDM4A (0.48) PDGFRBPDGFRARAB9ANPC1ALDH1A1
SCHEMBL6793398 0.81 MTNR1A (0.53) RAB9ANPC1L3MBTL1CYP3A4
SCHEMBL219324 0.77 PDGFRB (0.59) PDGFRBPDGFRARAB9ANPC1ALDH1A1
SCHEMBL8918196 0.77 NR4A2 (0.50) RAB9ANPC1ALDH1A1METHTT
Benzene SCHEMBL28101215 0.76 PDGFRB (0.58) PDGFRBPDGFRARAB9ANPC1ALDH1A1
Hydrochloric Acid SCHEMBL11881983 0.76 PDGFRB (0.58) PDGFRBPDGFRARAB9ANPC1ALDH1A1
Ethane SCHEMBL27318292 0.76 PDGFRB (0.58) PDGFRBPDGFRARAB9ANPC1ALDH1A1
Hydrochloric Acid SCHEMBL29522997 0.76 PDGFRB (0.58) PDGFRBPDGFRARAB9ANPC1ALDH1A1
Ammonia Solution, Strong SCHEMBL1598970 0.76 PDGFRB (0.58) PDGFRBPDGFRARAB9ANPC1ALDH1A1
Ethylene SCHEMBL27787596 0.75 PDGFRB (0.56) PDGFRBPDGFRARAB9ANPC1ALDH1A1

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-20040138228-A1 Novel compounds with analgesic effect ASTRAZENECA CANADA INC. 2004-07-15 US disclosed
EP-1408037-A1 Novel diarylmethylpiperazine and diarylmethylphenyl compounds with analgesic effect AstraZeneca AB (SE) 2004-04-14 EP disclosed
US-6680321-B1 4-((1-PIPERAZINYLMETHYL)-BENZAMIDE DERIVATIVES; HYPOTENSIVE AGENTS; IMMUNOMODULATORS ASTRAZENECA CANADA, INC. (CA) 2004-01-20 US disclosed
US-6130222-A Compounds with analgesic effect ASTRA PHARMA INC. (CA) 2000-10-10 US disclosed
EP-0915855-A1 NOVEL COMPOUNDS WITH ANALGESIC EFFECT Astra Pharma Inc. (CA) 1999-05-19 EP disclosed
WO-1997023466-A1 NOVEL COMPOUNDS WITH ANALGESIC EFFECT ASTRA PHARMA INC. (CA) 1997-07-03 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 (1 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-20040138228-A1 Novel compounds with analgesic effect OPRL1, OPRK1, OPRM1 PDGFRB 3995/4885PDGFRA 3562/4885RAB9A 2114/4885

“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.