SCHEMBL12075071

SCHEMBL12075071

CCOC(=O)c1c(NC(=O)[C@H]2CCCN2)sc2c1CCCCC2

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.67
▸ HTT P42858 1/20 0.67
▸ ALDH1A1 P00352 7/20 0.62
▸ LMNA P02545 2/20 0.62
▸ KDM4E B2RXH2 5/20 0.60
▸ SMN1; SMN2 Q16637 2/20 0.60
▸ HPGD P15428 1/20 0.60
▸ TSHR P16473 3/20 0.59
▸ NPSR1 Q6W5P4 2/20 0.59
▸ ALOX15 P16050 1/20 0.59
▸ HSD17B10 Q99714 1/20 0.59
▸ CNR1 P21554 1/20 0.59
▸ CNR2 P34972 1/20 0.59
▸ POLB P06746 2/20 0.58
▸ GAA P10253 2/20 0.58
▸ TLR2 O60603 4/20 0.57
▸ TDP1 Q9NUW8 1/20 0.56
▸ TP53 P04637 1/20 0.55
▸ ALOX12 P18054 1/20 0.55
▸ CYP1A2 P05177 1/20 0.55

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
SCHEMBL3806687 0.84 MAPT (0.77) MAPTHTTALDH1A1LMNAKDM4E
SCHEMBL5451004 0.83 MAPT (0.77) MAPTHTTALDH1A1LMNAKDM4E
SCHEMBL13631326 0.83 KDM4E (0.53) MAPTHTTALDH1A1LMNAKDM4E
SCHEMBL4084306 0.80 CNR1 (0.69) MAPTHTTALDH1A1LMNAKDM4E
SCHEMBL13764945 0.79 KIF11 (0.49) MAPTHTTALDH1A1KDM4ESMN1; SMN2
SCHEMBL8292134 0.79 MAPT (0.73) MAPTHTTALDH1A1LMNAKDM4E
SCHEMBL5806460 0.79 ALDH1A1 (0.75) MAPTHTTALDH1A1LMNAKDM4E
SCHEMBL12057611 0.79 KIF11 (0.53) MAPTALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL12057618 0.79 KIF11 (0.53) MAPTALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL12057593 0.79 KIF11 (0.53) MAPTALDH1A1KDM4ESMN1; SMN2HPGD

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 4 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-20090291947-A1 PROLINE ANALOGS AS LIGANDS FOR CANNABINOID RECEPTORS PURDUE PHARMA L.P. (US) 2009-11-26 — — US disclosed
WO-2009087564-A1 PROLINE ANALOGS AS LIGANDS FOR CANNABINOID RECEPTORS FOR THE TREATMENT OF PAIN PURDUE PHARMA L.P. (DE) 2009-07-16 — — 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-20090291947-A1 PROLINE ANALOGS AS LIGANDS FOR CANNABINOID RECEPTORS CNR1, CNR2, GPR18 MAPT 2443/4885HTT 2652/4885ALDH1A1 2632/4885

“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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