SCHEMBL5964058

SCHEMBL5964058

COC(=O)c1sccc1-c1ccc(CNCCC(O)c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ GABRA1 P14867 1/20 0.43
▸ GABRG2 P18507 1/20 0.43
▸ GABRB3 P28472 1/20 0.43
▸ GABRA5 P31644 1/20 0.43
▸ GABRA3 P34903 1/20 0.43
▸ KMT2A Q03164 5/20 0.42
▸ MEN1 O00255 4/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ LMNA P02545 3/20 0.42
▸ KDM4E B2RXH2 3/20 0.41
▸ POLB P06746 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ TDP1 Q9NUW8 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
SCHEMBL5964353 0.81 ALDH1A1 (0.52) SMN1; SMN2NPC1MAPTHPGDRAB9A
SCHEMBL5964051 0.80 CNR2 (0.54) SMN1; SMN2NPC1MAPTHPGDRAB9A
SCHEMBL6229196 0.75 GABRA1 (0.67) SMN1; SMN2NPC1MAPTHPGDRAB9A
SCHEMBL5964334 0.72 LMNA (0.48) SMN1; SMN2NPSR1KMT2AMEN1ALDH1A1
SCHEMBL8791515 0.72 KDM4E (0.53) SMN1; SMN2NPC1MAPTHPGDRAB9A
SCHEMBL5964683 0.71 NR3C2 (0.45) KMT2AMEN1LMNACASR
SCHEMBL9672979 0.71 MEN1 (0.67) SMN1; SMN2NPSR1KMT2AMEN1ALDH1A1
SCHEMBL20262093 0.69 PTGS1 (0.62) NPC1MAPTHPGDRAB9ANPSR1
SCHEMBL8792437 0.69 ALDH1A1 (0.57) SMN1; SMN2NPC1MAPTHPGDNPSR1
SCHEMBL10875863 0.68 KDM4E (0.63) SMN1; SMN2HPGDKMT2AMEN1ALDH1A1

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 1 patent. 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

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 SMN1; SMN2 857/4885NPC1 830/4885MAPT 3211/4885

“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.

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