SCHEMBL5964348

SCHEMBL5964348

COC(=O)c1sccc1-c1ccc(CN(C)CC(O)c2ccccc2)o1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.52
▸ NPSR1 Q6W5P4 5/20 0.52
▸ SMN1; SMN2 Q16637 5/20 0.52
▸ RAB9A P51151 5/20 0.52
▸ HPGD P15428 4/20 0.52
▸ NPC1 O15118 4/20 0.52
▸ ALDH1A1 P00352 9/20 0.49
▸ KDM4E B2RXH2 8/20 0.49
▸ POLB P06746 3/20 0.49
▸ KMT2A Q03164 5/20 0.47
▸ MEN1 O00255 4/20 0.47
▸ PPARG P37231 1/20 0.47
▸ NCOA2 Q15596 1/20 0.47
▸ NCOA1 Q15788 1/20 0.47
▸ CYP1A2 P05177 4/20 0.44
▸ CYP2C9 P11712 4/20 0.44
▸ CYP2C19 P33261 4/20 0.44
▸ CYP3A4 P08684 3/20 0.44
▸ CYP2D6 P10635 3/20 0.44
▸ GAA P10253 2/20 0.44

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
SCHEMBL5964353 0.81 ALDH1A1 (0.52) MAPTNPSR1SMN1; SMN2RAB9AHPGD
SCHEMBL5964051 0.81 CNR2 (0.54) MAPTNPSR1SMN1; SMN2RAB9AHPGD
SCHEMBL5964114 0.72 CNR2 (0.64) MAPTNPSR1SMN1; SMN2RAB9AHPGD
SCHEMBL5964602 0.71 MEN1 (0.46) MAPTNPSR1SMN1; SMN2RAB9AHPGD
SCHEMBL5963771 0.71 MEN1 (0.46) MAPTNPSR1SMN1; SMN2RAB9AHPGD
SCHEMBL5964615 0.67 PRMT1 (0.59) SMN1; SMN2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL2260748 0.66 MAPT (0.73) MAPTNPSR1SMN1; SMN2RAB9AHPGD
SCHEMBL6229196 0.66 GABRA1 (0.67) MAPTNPSR1SMN1; SMN2RAB9AHPGD
Hydrochloric Acid SCHEMBL9050310 0.66 MAPT (0.47) MAPTNPSR1SMN1; SMN2RAB9AHPGD
SCHEMBL5964058 0.65 SMN1; SMN2 (0.43) MAPTNPSR1SMN1; SMN2RAB9AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060052315-A1 Cb 1/cb 2 receptor ligands and their use in the treatment of pain ASTRAZENECA AB (SE) 2006-03-09 — — US claimed
EP-1594856-A1 CB 1/CB 2 RECEPTOR LIGANDS AND THEIR USE IN THE TREATMENT OF PAIN AstraZeneca AB (SE) 2005-11-16 — — EP claimed
WO-2004060882-A1 CB 1/CB 2 RECEPTOR LIGANDS AND THEIR USE IN THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2004-07-22 — — WO claimed

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-20060052315-A1 Cb 1/cb 2 receptor ligands and their use in the treatment of pain CNR1, CNR2, OPRL1 MAPT 3211/4885NPSR1 49/4885SMN1; SMN2 857/4885

“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.

Send feedback