SCHEMBL6793398

SCHEMBL6793398

COc1cccc(C(Cl)c2ccc3ccccc3c2)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.53
MTNR1B P49286 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2A6 P11509 1/20 0.53
UGT2B7 P16662 1/20 0.44
SLC6A2 P23975 5/20 0.43
SLC6A4 P31645 5/20 0.43
CYP3A4 P08684 4/20 0.43
CYP2D6 P10635 4/20 0.43
SLC6A3 Q01959 4/20 0.43
KCNH2 Q12809 4/20 0.43
CASR P41180 2/20 0.43
AOC3 Q16853 4/20 0.42
ABCB11 O95342 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL952823 0.86 CASR (0.51) MTNR1AMTNR1BCYP3A4CASRAOC3
SCHEMBL6791737 0.83 MTNR1A (0.56) MTNR1AMTNR1BCYP1A2CYP2A6UGT2B7
SCHEMBL6795819 0.81 PDGFRB (0.44) CYP3A4NPC1RAB9AL3MBTL1
SCHEMBL6220348 0.81 CASR (0.55) MTNR1AMTNR1BCYP1A2CYP2A6UGT2B7
SCHEMBL6659757 0.80 MAOB (0.47) CASRAOC3NPC1RAB9AL3MBTL1
SCHEMBL4574921 0.80 SLC6A2 (0.51) CYP2A6UGT2B7SLC6A2SLC6A4CYP3A4
SCHEMBL6795411 0.80 SLC6A4 (0.47) MTNR1AMTNR1BCYP1A2CYP2A6SLC6A2
SCHEMBL8902379 0.79 CNR2 (0.47) MTNR1AMTNR1BCYP1A2CYP2A6CYP3A4
SCHEMBL6797762 0.77 MAPT (0.45) CYP1A2CYP2A6CASRMEN1NPC1
SCHEMBL12003070 0.77 AOC3 (0.42) MTNR1AMTNR1BCYP3A4CASRAOC3

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 MTNR1A 74/4885MTNR1B 77/4885CYP1A2 497/4885

“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.