SCHEMBL17946113

SCHEMBL17946113

COc1ccccc1N1CCN(CCC(=O)Nc2cccc(Cl)c2)CC1

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 2/20 0.73
▸ ADRA1A P35348 1/20 0.73
▸ DRD3 P35462 1/20 0.73
▸ CACNA1G O43497 2/20 0.70
▸ TSHR P16473 3/20 0.69
▸ KMT2A Q03164 3/20 0.69
▸ GAA P10253 2/20 0.69
▸ HTR1A P08908 6/20 0.67
▸ HTR7 P34969 6/20 0.67
▸ USP2 O75604 1/20 0.67
▸ PDE4B Q07343 1/20 0.66
▸ MAPK1 P28482 1/20 0.66
▸ DRD4 P21917 2/20 0.64
▸ MEN1 O00255 1/20 0.64
▸ ALDH1A1 P00352 1/20 0.64
▸ NPSR1 Q6W5P4 1/20 0.64
▸ MAPT P10636 1/20 0.64

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
SCHEMBL17946603 0.82 CACNA1G (0.72) CACNA1GTSHRKMT2AGAAHTR1A
SCHEMBL1577875 0.82 KMT2A (0.70) DRD2CACNA1GTSHRKMT2AGAA
SCHEMBL3060155 0.79 MAPK1 (0.66) DRD2DRD3CACNA1GTSHRKMT2A
SCHEMBL3056156 0.79 HTR1A (0.68) DRD2DRD3TSHRKMT2AGAA
SCHEMBL8442719 0.78 GAA (0.61) DRD2ADRA1ADRD3CACNA1GTSHR
SCHEMBL4005507 0.78 DRD4 (1.00) DRD2DRD3TSHRKMT2AUSP2
SCHEMBL9024439 0.78 KMT2A (0.64) ADRA1ACACNA1GTSHRKMT2AGAA
SCHEMBL15444518 0.78 ALDH1A1 (0.97) KMT2AMAPK1ALDH1A1MAPT
SCHEMBL8443516 0.77 HTR1A (0.65) DRD2KMT2AHTR1AHTR7PDE4B
SCHEMBL10864141 0.77 DRD4 (0.72) DRD2HTR1AHTR7PDE4BDRD4

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 DRD2 1797/4885ADRA1A 35/4885DRD3 2456/4885
US-20170298051-A1 ACTIVATOR OF ADIPONECTIN RECEPTOR ADIPOR1, ADIPOR2, CCKAR DRD2 1797/4885ADRA1A 35/4885DRD3 2456/4885

“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.

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