SCHEMBL4489217

SCHEMBL4489217

N#CCCCC(=O)NC1CCC(CCN2CC=C(c3ccccc3)CC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.55
DRD3 P35462 7/20 0.55
KCNA3 P22001 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
SIGMAR1 Q99720 1/20 0.46
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HTR2A P28223 5/20 0.43

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
SCHEMBL13630282 1.00 DRD2 (0.55) DRD2DRD3KCNA3KDM4EALDH1A1
SCHEMBL13630364 0.91 SIGMAR1 (0.48) DRD2DRD3SIGMAR1HTR2A
SCHEMBL13630361 0.91 DRD3 (0.49) DRD2DRD3SIGMAR1HTR2A
SCHEMBL4482124 0.91 SIGMAR1 (0.48) DRD2DRD3SIGMAR1HTR2A
SCHEMBL4490617 0.91 DRD3 (0.49) DRD2DRD3SIGMAR1HTR2A
SCHEMBL4480296 0.89 DRD3 (0.45) DRD2DRD3KCNA3KMT2AHTR2A
SCHEMBL13630461 0.89 DRD3 (0.45) DRD2DRD3KCNA3KMT2AHTR2A
SCHEMBL4495004 0.89 HTR7 (0.46) DRD2DRD3KCNA3HTR2A
SCHEMBL4485311 0.89 DRD2 (0.44) DRD2DRD3KMT2AHTR2A
SCHEMBL13630476 0.89 HTR7 (0.46) DRD2DRD3KCNA3HTR2A

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 4 patents. 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 claimed
EP-2038268-B1 CARBONYLATED (AZA)CYCLOHEXANES AS DOPAMINE D3 RECEPTOR LIGANDS BIOPROJET SOC CIV (FR) 2015-11-04 EP disclosed
US-8802678-B2 Carbonylated (aza) cyclohexanes as dopamine D3 receptor ligands BIOPROJET (FR) 2014-08-12 US disclosed
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 1/4885KCNA3 1025/4885

“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.