SCHEMBL6797766

SCHEMBL6797766

COc1cccc(C(Cl)c2occ3ccccc23)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
GPR84 Q9NQS5 2/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
CDC25B P30305 1/20 0.38
CASR P41180 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2A6 P11509 1/20 0.37
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MTNR1A P48039 1/20 0.36

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
SCHEMBL6798662 0.84 BRD4 (0.44) SLC6A2SLC6A4GPR84MGAMGAA
SCHEMBL8893074 0.79 TSHR (0.37) CDC25BCYP2A6LMNAMAPT
SCHEMBL6795411 0.77 SLC6A4 (0.47) SLC6A2SLC6A4MGAMGAASI
SCHEMBL6793398 0.75 MTNR1A (0.53) SLC6A2SLC6A4CASRCYP1A2CYP2A6
SCHEMBL952823 0.74 CASR (0.51) CASRCYP3A4SMN1; SMN2MTNR1AMTNR1B
SCHEMBL6797762 0.72 MAPT (0.45) MGAMGAASIMGAM2CASR
SCHEMBL5263393 0.69 AOC3 (0.50) CASRCYP3A4AOC3L3MBTL1
SCHEMBL8902379 0.69 CNR2 (0.47) GAACASRCYP1A2CYP2A6MEN1
SCHEMBL9026859 0.68 ADRA2A (0.45) CDC25BCYP1A2CYP2A6MEN1MAPT
SCHEMBL30722441 0.67 CASR (0.50) CASRCYP3A4SMN1; SMN2AOC3L3MBTL1

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-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

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 SLC6A2 1081/4885SLC6A4 1098/4885GPR84 622/4885

“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.