SCHEMBL18779449

SCHEMBL18779449

CCN1CCCC1CNC(=O)c1ccc(Oc2ccc(C)cc2)c(C#N)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.55
MCHR2 Q969V1 1/20 0.55
ABCG2 Q9UNQ0 1/20 0.52
DRD2 P14416 8/20 0.52
DRD3 P35462 3/20 0.50
MITF O75030 1/20 0.50
ADRA2B P18089 1/20 0.50
ADRA2C P18825 1/20 0.50
SLC6A4 P31645 1/20 0.50
HTR2B P41595 1/20 0.50
KCNH2 Q12809 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
CA2 P00918 2/20 0.49
DRD1 P21728 2/20 0.49
DRD4 P21917 2/20 0.49
CA9 Q16790 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2D6 P10635 2/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49

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
SCHEMBL18376418 0.92 MCHR1 (0.54) MCHR1MCHR2ABCG2DRD2MAPT
SCHEMBL18779426 0.83 MAPT (0.60) MCHR1MCHR2ABCG2DRD2DRD3
SCHEMBL6014110 0.83 MCHR1 (0.66) MCHR1MCHR2ABCG2DRD2MITF
SCHEMBL18779416 0.82 MAPT (0.61) MCHR1MCHR2ABCG2DRD2MITF
SCHEMBL18376380 0.81 ABCG2 (0.54) MCHR1MCHR2ABCG2DRD2DRD3
SCHEMBL10195730 0.80 HSD17B10 (0.68) MCHR1MCHR2ABCG2DRD2MITF
SCHEMBL10195010 0.80 HSD17B10 (0.68) MCHR1MCHR2ABCG2DRD2MITF
SCHEMBL10195728 0.80 HSD17B10 (0.68) MCHR1MCHR2ABCG2DRD2MITF
Hydrochloric Acid SCHEMBL18763564 0.80 ABCG2 (0.53) MCHR1MCHR2ABCG2DRD2DRD3
SCHEMBL18792292 0.77 MCHR1 (0.55) MCHR1MCHR2ABCG2DRD2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170114062-A1 BENZAMIDE OR BENZAMINE COMPOUNDS USEFUL AS ANTICANCER AGENTS FOR THE TREATMENT OF HUMAN CANCERS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2017-04-27 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-20170114062-A1 BENZAMIDE OR BENZAMINE COMPOUNDS USEFUL AS ANTICANCER AGENTS FOR THE TREATMENT OF HUMAN CANCERS ACAT1, ACAT2, NPC1L1 MCHR1 3907/4885MCHR2 4172/4885ABCG2 376/4885

“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.