SCHEMBL14739552

SCHEMBL14739552

O=C(O)CN1CCC(c2[nH]c3ncccc3c2Sc2ccc(Cl)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 1/20 0.48
MAPK14 Q16539 1/20 0.48
PTGDR2 Q9Y5Y4 8/20 0.48
SLC6A4 P31645 1/20 0.48
CDK9 P50750 5/20 0.45
CCNT1 O60563 4/20 0.45
AKR1B1 P15121 3/20 0.42
HSD11B1 P28845 4/20 0.41
TLR9 Q9NR96 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39

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
SCHEMBL7707692 0.90 CCNT1 (0.49) MAPK11MAPK14PTGDR2SLC6A4CDK9
SCHEMBL28800855 0.86 HSD11B1 (0.41) MAPK11MAPK14PTGDR2SLC6A4CDK9
SCHEMBL7712303 0.85 MAPK11 (0.47) MAPK11MAPK14PTGDR2SLC6A4HSD11B1
SCHEMBL7707688 0.84 HSD11B1 (0.47) MAPK11MAPK14PTGDR2SLC6A4HSD11B1
SCHEMBL7711798 0.84 RHEB (0.39) PTGDR2SLC6A4CDK9HSD11B1
SCHEMBL14738750 0.84 RHEB (0.39) PTGDR2SLC6A4CDK9HSD11B1
SCHEMBL14738748 0.84 RHEB (0.39) PTGDR2SLC6A4CDK9HSD11B1
SCHEMBL14738973 0.81 PDK2 (0.37) PTGDR2SLC6A4HSD11B1
SCHEMBL7712729 0.81 PDK2 (0.37) PTGDR2SLC6A4HSD11B1
SCHEMBL14739631 0.81 PDK2 (0.37) PTGDR2SLC6A4HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130059850-A1 AZA-INDOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH MERCK SHARP & DOHME CORP. (US) 2013-03-07 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-20130059850-A1 AZA-INDOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH FAAH, FAAH2, IDO1 MAPK11 3628/4885MAPK14 2810/4885PTGDR2 168/4885

“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.