SCHEMBL12057618

SCHEMBL12057618

O=C(Nc1sc2c(c1C(=O)N1CCCCC1)CCCCC2)[C@@H]1CCCN1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 3/20 0.53
▸ ALDH1A1 P00352 5/20 0.53
▸ TSHR P16473 1/20 0.53
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ CNR2 P34972 7/20 0.49
▸ CNR1 P21554 2/20 0.49
▸ FLT3 P36888 1/20 0.47
▸ MAPT P10636 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ REV1 Q9UBZ9 1/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ HPGD P15428 2/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ TP53 P04637 1/20 0.44
▸ GAA P10253 1/20 0.43
▸ MDM2 Q00987 1/20 0.43

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
SCHEMBL12057611 1.00 KIF11 (0.53) KIF11ALDH1A1TSHRMEN1KMT2A
SCHEMBL12057593 1.00 KIF11 (0.53) KIF11ALDH1A1TSHRMEN1KMT2A
SCHEMBL21597132 0.84 FLT3 (0.67) KIF11ALDH1A1TSHRMEN1KMT2A
SCHEMBL13631326 0.83 KDM4E (0.53) ALDH1A1TSHRMEN1KMT2ACNR2
SCHEMBL21603653 0.83 FLT3 (0.68) KIF11ALDH1A1TSHRMEN1KMT2A
SCHEMBL14878982 0.79 KIF11 (0.49) KIF11ALDH1A1TSHRMEN1KMT2A
SCHEMBL12075071 0.79 MAPT (0.67) ALDH1A1TSHRCNR2CNR1MAPT
SCHEMBL12057615 0.76 ALDH1A1 (0.53) KIF11ALDH1A1TSHRMEN1KMT2A
SCHEMBL14878984 0.76 ALDH1A1 (0.53) KIF11ALDH1A1TSHRMEN1KMT2A
SCHEMBL13764945 0.75 KIF11 (0.49) KIF11ALDH1A1MEN1KMT2AFLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 KIF11 4563/4885ALDH1A1 2632/4885TSHR 1430/4885

“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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