SCHEMBL13844703

SCHEMBL13844703

CCOc1cccc(CN2C(=O)CCCN2CCC(C)O)c1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 12/20 0.41
PTGER2 P43116 12/20 0.41
FAAH O00519 1/20 0.41
ACACB O00763 1/20 0.39
POLB P06746 1/20 0.38
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
HTR2B P41595 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL13844705 0.90 PTGER4 (0.41) PTGER4PTGER2FAAHACACBPOLB
SCHEMBL13844770 0.87 ACACB (0.52) PTGER4PTGER2ACACBPOLBSMN1; SMN2
SCHEMBL13844767 0.86 PTGER4 (0.44) PTGER4PTGER2
SCHEMBL13844768 0.84 PTGER2 (0.47) PTGER4PTGER2DRD2
SCHEMBL13844824 0.82 FAAH (0.40) FAAHPOLBHTR1ADRD2HTR2B
SCHEMBL13844821 0.82 NAAA (0.42) FAAHHTR1ADRD2HTR2BSMN1; SMN2
SCHEMBL13844769 0.81 PTGER4 (0.39) PTGER4PTGER2
SCHEMBL13844701 0.78 POLB (0.46) PTGER4PTGER2POLBSMN1; SMN2
SCHEMBL14402387 0.78 PTGER4 (0.41) PTGER4PTGER2
SCHEMBL13844792 0.77 PTGER2 (0.51) PTGER4PTGER2

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 PTGER4 33/4885PTGER2 39/4885FAAH 3829/4885

“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.