SCHEMBL17945987

SCHEMBL17945987

O=C(COc1ccc(I)cc1)NC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.84

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.84
ADIPOR2 Q86V24 1/20 0.78
ADIPOR1 Q96A54 1/20 0.78
USP2 O75604 1/20 0.74
SIGMAR1 Q99720 9/20 0.73
CYP1A2 P05177 1/20 0.66
CYP3A4 P08684 1/20 0.66
CYP2D6 P10635 1/20 0.66
CYP2C9 P11712 1/20 0.66
TSHR P16473 1/20 0.66
MAPK1 P28482 1/20 0.66
CYP2C19 P33261 1/20 0.66
TMEM97 Q5BJF2 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
MCHR1 Q99705 2/20 0.60
MAPT P10636 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59

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
SCHEMBL17946047 0.90 POLB (0.91) POLBADIPOR2ADIPOR1USP2SIGMAR1
SCHEMBL24514563 0.90 POLB (0.86) POLBADIPOR2ADIPOR1USP2SIGMAR1
SCHEMBL17938602 0.88 ADIPOR2 (1.00) POLBADIPOR2ADIPOR1USP2SIGMAR1
SCHEMBL24514564 0.87 ADIPOR2 (0.82) POLBADIPOR2ADIPOR1USP2SIGMAR1
SCHEMBL17950883 0.85 ADIPOR2 (0.90) POLBADIPOR2ADIPOR1USP2SIGMAR1
SCHEMBL8035540 0.84 SIGMAR1 (1.00) SIGMAR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5129236 0.83 MCHR1 (0.83) POLBADIPOR2ADIPOR1USP2SIGMAR1
SCHEMBL17946000 0.83 POLB (0.74) POLBADIPOR2ADIPOR1USP2SIGMAR1
SCHEMBL24514573 0.83 POLB (0.74) POLBADIPOR2ADIPOR1USP2SIGMAR1
SCHEMBL25568935 0.83 POLB (0.74) POLBADIPOR2ADIPOR1USP2SIGMAR1

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.