SCHEMBL13630575

SCHEMBL13630575

N#CCCCCC(=O)NC1CCC(CCN2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.59
DRD3 P35462 8/20 0.59
HTR2A P28223 2/20 0.49
HTR1A P08908 1/20 0.49
DRD4 P21917 1/20 0.49
HTR2C P28335 1/20 0.49
HTR2B P41595 1/20 0.49
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48

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
SCHEMBL4503624 0.97 DRD2 (0.60) DRD2DRD3HTR2AHTR1ADRD4
SCHEMBL13630008 0.97 DRD2 (0.60) DRD2DRD3HTR2AHTR1ADRD4
SCHEMBL4503207 0.94 DRD3 (0.62) DRD2DRD3HTR2AHTR1ADRD4
SCHEMBL13630014 0.94 DRD3 (0.62) DRD2DRD3HTR2AHTR1ADRD4
Hydrochloric Acid SCHEMBL5268764 0.93 DRD3 (0.61) DRD2DRD3HTR2AHTR1ADRD4
SCHEMBL13630164 0.91 DRD2 (0.54) DRD2DRD3HTR2AHTR1ADRD4
SCHEMBL4486309 0.91 DRD2 (0.54) DRD2DRD3HTR2AHTR1ADRD4
SCHEMBL13637920 0.89 DRD2 (0.59) DRD2DRD3HTR2AHTR1ADRD4
SCHEMBL4483657 0.89 DRD3 (0.69) DRD2DRD3HTR2AHTR1ADRD4
SCHEMBL13629868 0.89 DRD2 (0.64) DRD2DRD3HTR2AKDM4EALDH1A1

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-20090286801-A1 CARBONYLATED (AZA) CYCLOHEXANES AS DOPAMINE D3 RECEPTOR LIGANDS BIOPROJET (FR) 2009-11-19 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-20090286801-A1 CARBONYLATED (AZA) CYCLOHEXANES AS DOPAMINE D3 RECEPTOR LIGANDS DRD3, TACR2, TACR1 DRD2 4/4885DRD3 1/4885HTR2A 225/4885

“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.