SCHEMBL3696232

SCHEMBL3696232

CC(C)C[C@@H](CO)NC=C(C(=O)O)C(=O)c1cc(Br)cnc1Cl

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.34
CNR1 P21554 3/20 0.33
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
AURKA O14965 1/20 0.31
AURKB Q96GD4 1/20 0.31
AAK1 Q2M2I8 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
SCHEMBL3696231 1.00 CNR2 (0.34) CNR2CNR1TAS1R3TAS1R1AURKA
SCHEMBL3700930 0.88 NPSR1 (0.37) CNR2CNR1TAS1R3TAS1R1AAK1
SCHEMBL3700934 0.88 NPSR1 (0.37) CNR2CNR1TAS1R3TAS1R1AAK1
SCHEMBL3700357 0.78 CNR2 (0.31) CNR2
SCHEMBL3700352 0.78 CNR2 (0.31) CNR2
SCHEMBL3700932 0.78 CNR1 (0.38) CNR2CNR1TAS1R3TAS1R1AURKA
SCHEMBL3700936 0.78 CNR1 (0.38) CNR2CNR1TAS1R3TAS1R1AURKA
SCHEMBL3719118 0.77 AAK1 (0.34) AAK1
SCHEMBL1299702 0.74 CNR2 (0.33) CNR2
SCHEMBL20521244 0.71 ALDH1A1 (0.33)

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-8569484-B2 Heterocyclic urea derivatives and methods of use thereof ASTRAZENECA AB (SE) 2013-10-29 US disclosed
US-20120122817-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2012-05-17 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-20120122817-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF UROD, UMPS, SLC14A1 CNR2 1386/4885CNR1 1453/4885TAS1R3 3552/4885

“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.