SCHEMBL12159797

SCHEMBL12159797

CCn1cnc(C(C)=O)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMYD3 Q9H7B4 1/20 0.50
▸ MAP3K5 Q99683 1/20 0.44
▸ CYP2E1 P05181 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2A6 P11509 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2B6 P20813 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ CPB2 Q96IY4 3/20 0.39
▸ CPB1 P15086 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ PLA2G4A P47712 1/20 0.34
▸ KCNJ1 P48048 2/20 0.33
▸ KDM5A P29375 1/20 0.33
▸ KDM5B Q9UGL1 1/20 0.33
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ RBP4 P02753 1/20 0.31
▸ NOTUM Q6P988 1/20 0.31

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
SCHEMBL6335415 0.82 SMYD3 (0.52) SMYD3MAP3K5CYP2E1CYP3A4CYP2A6
SCHEMBL16566390 0.79 SMYD3 (0.57) SMYD3MAP3K5CYP2E1CYP3A4CYP2A6
SCHEMBL7425205 0.79 SMYD3 (0.50) SMYD3MAP3K5CYP2E1CYP3A4CYP2A6
SCHEMBL25153647 0.78 NOTUM (0.51) SMYD3MAP3K5ALDH1A1RAB9ANOTUM
SCHEMBL27550007 0.78 SMYD3 (0.46) SMYD3MAP3K5CYP2E1CYP3A4CYP2A6
SCHEMBL16690901 0.75 RBP4 (0.54) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL30162870 0.75 SMYD3 (0.57) SMYD3MAP3K5CPB2
SCHEMBL13925850 0.74 SMYD3 (0.42) SMYD3MAP3K5CYP2E1CYP3A4CYP2A6
SCHEMBL1614140 0.72 — —
SCHEMBL15701590 0.72 NPC1 (0.33) SMYD3KCNJ1

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
US-20110269763-A1 CRTH2 receptor ligands for medicinal uses 7TM PHARMA A/S (DK) 2011-11-03 — — US disclosed
US-20110269763-A1 CRTH2 receptor ligands for medicinal uses 7TM PHARMA A/S (DK) 2011-11-03 — — US disclosed
US-8022063-B2 CRTH2 receptor ligands for medicinal uses 7TM PHARMA A/S (DK) 2011-09-20 — — US disclosed
EP-2336113-A1 CRTH2 Receptor Ligands for Medical Use 7TM Pharma A/S (DK) 2011-06-22 — — EP disclosed
US-20090099189-A1 CRTH2 Receptor Ligands For Medicinal Uses 7TM PHARMA A/S (DK) 2009-04-16 — — 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 (2 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-20090099189-A1 CRTH2 Receptor Ligands For Medicinal Uses HRH1, HRH2, HRH3 SMYD3 2589/4885MAP3K5 3218/4885CYP2E1 721/4885
US-20110269763-A1 CRTH2 receptor ligands for medicinal uses HRH1, HRH2, HRH4 SMYD3 2945/4885MAP3K5 3174/4885CYP2E1 759/4885

“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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