SCHEMBL18073604

SCHEMBL18073604

CCC1CCC(NC(=O)N(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.45
EPHX2 P34913 1/20 0.44
DRD3 P35462 2/20 0.42
ABCB11 O95342 1/20 0.41
CHRM2 P08172 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
CHRM1 P11229 1/20 0.41
DRD1 P21728 1/20 0.41
DRD4 P21917 1/20 0.41
DRD5 P21918 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR7 P34969 1/20 0.41
ADRA1A P35348 1/20 0.41
HRH1 P35367 1/20 0.41
HTR2B P41595 1/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL3834832 0.86 KMT2A (0.52) DRD2DRD3ABCB11CHRM2HTR1A
SCHEMBL2051051 0.85
SCHEMBL20377850 0.85 CA1 (0.45) DRD2EPHX2ADRA2A
SCHEMBL18380886 0.85 CA1 (0.45) DRD2EPHX2ADRA2A
SCHEMBL18073602 0.85 DRD2 (0.49) DRD2DRD3ABCB11CHRM2HTR1A
SCHEMBL15342462 0.83 DRD2 (0.44) DRD2DRD3ABCB11CHRM2HTR1A
SCHEMBL24448946 0.81 DRD2 (0.46) DRD2DRD3ABCB11CHRM2HTR1A
SCHEMBL16654377 0.81 DRD2 (0.49) DRD2DRD3ABCB11CHRM2HTR1A
SCHEMBL24449571 0.81 DRD2 (0.46) DRD2DRD3ABCB11CHRM2HTR1A
SCHEMBL23781326 0.81 DRD2 (0.43) DRD2DRD3ABCB11CHRM2HTR1A

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
EP-3351540-B1 CYCLOHEXANE DERIVATIVE OR STEREOISOMER OR SALT THEREOF, AND PREPARATION AND USE THEREOF ZHEJIANG JINGXIN PHARMACEUTICAL CO LTD (CN) 2020-09-02 EP 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 20/4885EPHX2 775/4885DRD3 57/4885

“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.