SCHEMBL18073602

SCHEMBL18073602

CCCC1CCC(NC(=O)N(C)C)CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 12/20 0.49
DRD3 P35462 2/20 0.46
ABCB11 O95342 1/20 0.44
CHRM2 P08172 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
CHRM1 P11229 1/20 0.44
DRD1 P21728 1/20 0.44
DRD4 P21917 1/20 0.44
DRD5 P21918 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR7 P34969 1/20 0.44
ADRA1A P35348 1/20 0.44
HRH1 P35367 1/20 0.44
HTR2B P41595 1/20 0.44
KCNH2 Q12809 1/20 0.44

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
SCHEMBL16654377 0.86 DRD2 (0.49) DRD2DRD3ABCB11CHRM2HTR1A
SCHEMBL28006699 0.86 DRD2 (0.49) DRD2DRD3ABCB11CHRM2HTR1A
SCHEMBL16655846 0.86 DRD2 (0.49) DRD2DRD3ABCB11CHRM2HTR1A
SCHEMBL28006700 0.86 DRD2 (0.49) DRD2DRD3ABCB11CHRM2HTR1A
SCHEMBL18073604 0.85 DRD2 (0.45) DRD2DRD3ABCB11CHRM2HTR1A
SCHEMBL21729939 0.84 DRD2 (0.48) DRD2DRD3ABCB11CHRM2HTR1A
SCHEMBL28006466 0.84 DRD2 (0.48) DRD2DRD3ABCB11CHRM2HTR1A
SCHEMBL29324645 0.84 DRD2 (0.48) DRD2DRD3ABCB11CHRM2HTR1A
SCHEMBL28006465 0.84 DRD2 (0.48) DRD2DRD3ABCB11CHRM2HTR1A
SCHEMBL24448954 0.84 DRD2 (0.36) DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9718795-B2 1,4-cyclohexylamine derivatives and processes for the preparation thereof CHEMO RESEARCH, S.L. (ES) 2017-08-01 US disclosed
US-20160257661-A1 1,4-CYCLOHEXYLAMINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF CHEMO RESEARCH, S.L. (ES) 2016-09-08 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-20160257661-A1 1,4-CYCLOHEXYLAMINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF CYP4Z1, PNMT, HTR5A DRD2 20/4885DRD3 57/4885ABCB11 2813/4885

“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.