SCHEMBL13844768

SCHEMBL13844768

CCCc1cccc(CN2C(=O)CCCN2CCC(C)O)c1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 17/20 0.47
PTGER4 P35408 16/20 0.47
DRD2 P14416 1/20 0.37
DRD1 P21728 1/20 0.37
DRD4 P21917 1/20 0.37
DRD5 P21918 1/20 0.37
DRD3 P35462 1/20 0.37
LMNA P02545 1/20 0.35

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
SCHEMBL13844767 0.91 PTGER4 (0.44) PTGER2PTGER4LMNA
SCHEMBL13844792 0.89 PTGER2 (0.51) PTGER2PTGER4
SCHEMBL13844703 0.84 PTGER4 (0.41) PTGER2PTGER4DRD2
SCHEMBL13844769 0.84 PTGER4 (0.39) PTGER2PTGER4LMNA
SCHEMBL13844753 0.81 PTGER4 (0.52) PTGER2PTGER4
SCHEMBL13844762 0.79 PTGER4 (0.46) PTGER2PTGER4
SCHEMBL14402387 0.78 PTGER4 (0.41) PTGER2PTGER4LMNA
SCHEMBL13844770 0.76 ACACB (0.52) PTGER2PTGER4LMNA
SCHEMBL13844771 0.76 PTGER2 (0.41) PTGER2PTGER4
SCHEMBL14402567 0.76 PTGER4 (0.39) PTGER2PTGER4DRD2DRD1

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-7531533-B2 6-Membered heterocyclic compound and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-05-12 US disclosed
US-20070060590-A1 6-Membered heterocyclic compound and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2007-03-15 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-20070060590-A1 6-Membered heterocyclic compound and use thereof WNT1, CYP11B2, CYP11B1 PTGER2 39/4885PTGER4 33/4885DRD2 3534/4885

“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.