SCHEMBL565036

SCHEMBL565036

CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)CC1C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 3/20 0.60
NR1H2 P55055 2/20 0.45
NR1H3 Q13133 2/20 0.45
KLK7 P49862 1/20 0.44
ALDH1A1 P00352 2/20 0.44
ACE P12821 1/20 0.42
MMP1 P03956 1/20 0.42
MMP3 P08254 1/20 0.42
MMP7 P09237 1/20 0.42
MMP9 P14780 1/20 0.42
MMP13 P45452 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
S1PR1 P21453 1/20 0.42
S1PR5 Q9H228 1/20 0.42
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
GPR119 Q8TDV5 1/20 0.42

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
SCHEMBL1634212 1.00 AGTR2 (0.60) AGTR2NR1H2NR1H3KLK7ALDH1A1
SCHEMBL1635510 0.90 NR1H2 (0.52) AGTR2NR1H2NR1H3KLK7MMP1
SCHEMBL1393680 0.90 NR1H2 (0.52) AGTR2NR1H2NR1H3KLK7MMP1
SCHEMBL8239010 0.89 AGTR2 (0.50) AGTR2NR1H2NR1H3KLK7MMP1
SCHEMBL28380747 0.88 AGTR2 (0.48) AGTR2NR1H2NR1H3KLK7
SCHEMBL3664004 0.86 MGLL (0.49) AGTR2NR1H2NR1H3GPR119
SCHEMBL3664002 0.86 MGLL (0.49) AGTR2NR1H2NR1H3GPR119
SCHEMBL7968974 0.86 MGLL (0.49) AGTR2NR1H2NR1H3GPR119
SCHEMBL28589847 0.86 ALDH1A1 (0.46) AGTR2NR1H2NR1H3ALDH1A1LMNA
SCHEMBL28589845 0.86 ALDH1A1 (0.46) AGTR2NR1H2NR1H3ALDH1A1LMNA

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-8722896-B2 Prokineticin receptor antagonists and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-05-13 US disclosed
US-20120035149-A1 Prokineticin Receptor Antagonists And Uses Thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-02-09 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-20120035149-A1 Prokineticin Receptor Antagonists And Uses Thereof PROKR2, PROKR1, GIPR AGTR2 62/4885NR1H2 1833/4885NR1H3 2404/4885

“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.