SCHEMBL17946303

SCHEMBL17946303

Cc1ccccc1CN1CCC(NC(=O)COc2ccc(Oc3ccccn3)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
ADIPOR2 Q86V24 1/20 0.52
ADIPOR1 Q96A54 1/20 0.52
USP2 O75604 1/20 0.52
DRD4 P21917 2/20 0.50
MCHR1 Q99705 6/20 0.49
SIGMAR1 Q99720 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
ALDH1A1 P00352 1/20 0.44
UBE2M P61081 1/20 0.44
DCUN1D1 Q96GG9 1/20 0.44
HTR2A P28223 1/20 0.44
LTA4H P09960 1/20 0.44
KCNH2 Q12809 1/20 0.44

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
SCHEMBL17946000 0.87 POLB (0.74) POLBADIPOR2ADIPOR1USP2DRD4
SCHEMBL17950897 0.85 POLB (0.62) POLBADIPOR2ADIPOR1USP2DRD4
SCHEMBL17950916 0.83 POLB (0.63) POLBADIPOR2ADIPOR1USP2MCHR1
SCHEMBL17950881 0.83 KMT2A (0.62) POLBADIPOR2ADIPOR1USP2DRD4
SCHEMBL17950910 0.82 USP2 (0.77) POLBADIPOR2ADIPOR1USP2DRD4
SCHEMBL17946122 0.79 ACKR3 (0.49) POLBADIPOR2ADIPOR1USP2DRD4
SCHEMBL17950890 0.76 SIGMAR1 (0.61) POLBADIPOR2ADIPOR1USP2MCHR1
SCHEMBL17946047 0.75 POLB (0.91) POLBADIPOR2ADIPOR1USP2MCHR1
SCHEMBL25568935 0.71 POLB (0.74) POLBADIPOR2ADIPOR1USP2DRD4
SCHEMBL24514563 0.71 POLB (0.86) POLBADIPOR2ADIPOR1USP2MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170298051-A1 ACTIVATOR OF ADIPONECTIN RECEPTOR THE UNIVERSITY OF TOKYO (JP) 2017-10-19 US disclosed
US-20170298051-A1 ACTIVATOR OF ADIPONECTIN RECEPTOR THE UNIVERSITY OF TOKYO (JP) 2017-10-19 US disclosed
EP-3053911-A1 ADIPONECTIN RECEPTOR-ACTIVATING COMPOUND The University of Tokyo (JP) 2016-08-10 EP disclosed
US-20160214967-A1 ACTIVATOR OF ADIPONECTIN RECEPTOR THE UNIVERSITY OF TOKYO (JP) 2016-07-28 US disclosed
US-20160214967-A1 ACTIVATOR OF ADIPONECTIN RECEPTOR THE UNIVERSITY OF TOKYO (JP) 2016-07-28 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 (2 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-20160214967-A1 ACTIVATOR OF ADIPONECTIN RECEPTOR ADIPOR1, ADIPOR2, CCKAR POLB 4574/4885ADIPOR2 2/4885ADIPOR1 1/4885
US-20170298051-A1 ACTIVATOR OF ADIPONECTIN RECEPTOR ADIPOR1, ADIPOR2, CCKAR POLB 4574/4885ADIPOR2 2/4885ADIPOR1 1/4885

“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.