SCHEMBL12057607

SCHEMBL12057607

CC(C)(C)OC(=O)Nc1sc2c(c1C(=O)N1CCCCC1)CCCCC2

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.58
▸ TSHR P16473 2/20 0.58
▸ CNR2 P34972 9/20 0.58
▸ KIF11 P52732 2/20 0.56
▸ CNR1 P21554 4/20 0.54
▸ HPGD P15428 2/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ MAPT P10636 2/20 0.50
▸ TP53 P04637 1/20 0.50
▸ TLR2 O60603 1/20 0.49
▸ ANO1 Q5XXA6 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ LMNA P02545 1/20 0.48

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
SCHEMBL12057591 1.00 ALDH1A1 (0.58) ALDH1A1TSHRCNR2KIF11CNR1
SCHEMBL12057606 0.84 PTPN1 (0.63) ALDH1A1TSHRHPGDALOX15HSD17B10
SCHEMBL12057595 0.83 PTPN1 (0.62) ALDH1A1TSHRHPGDALOX15HSD17B10
SCHEMBL13631324 0.83 ALDH1A1 (0.56) ALDH1A1TSHRCNR2HPGDALOX15
SCHEMBL12057605 0.79 MAPT (0.74) ALDH1A1TSHRCNR2CNR1HPGD
SCHEMBL21597132 0.77 FLT3 (0.67) ALDH1A1TSHRCNR2KIF11CNR1
SCHEMBL16848805 0.76 ALDH1A1 (0.50) ALDH1A1TSHRCNR2CNR1HPGD
SCHEMBL21603653 0.76 FLT3 (0.68) ALDH1A1TSHRCNR2KIF11CNR1
SCHEMBL16210887 0.74 KMT2A (0.74) ALDH1A1CNR2KIF11CNR1HPGD
SCHEMBL17018756 0.74 ALDH1A1 (0.55) ALDH1A1TSHRCNR2CNR1HPGD

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
EP-2583963-A1 Proline analogs as ligands for cannabinoid receptors for the treatment of pain Purdue Pharma L.P. (US) 2013-04-24 — — EP disclosed
US-8084612-B2 Proline analogs as ligands for cannabinoid receptors PURDUE PHARMA L.P. (US) 2011-12-27 — — US disclosed
US-8084612-B2 Proline analogs as ligands for cannabinoid receptors PURDUE PHARMA L.P. (US) 2011-12-27 — — US disclosed
US-20090291947-A1 PROLINE ANALOGS AS LIGANDS FOR CANNABINOID RECEPTORS PURDUE PHARMA L.P. (US) 2009-11-26 — — US disclosed
US-20090291947-A1 PROLINE ANALOGS AS LIGANDS FOR CANNABINOID RECEPTORS PURDUE PHARMA L.P. (US) 2009-11-26 — — US 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-20090291947-A1 PROLINE ANALOGS AS LIGANDS FOR CANNABINOID RECEPTORS CNR1, CNR2, GPR18 ALDH1A1 2632/4885TSHR 1430/4885CNR2 2/4885

“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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