SCHEMBL18078095

SCHEMBL18078095

O=C(O)CC1CCC(NC(=O)n2ccnc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CD38 P28907 12/20 0.37
NAMPT P43490 1/20 0.36
ALDH1A1 P00352 1/20 0.35
EGLN3 Q9H6Z9 1/20 0.33
DGAT1 O75907 1/20 0.33

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
SCHEMBL1934143 0.87 CD38 (0.39) CD38
SCHEMBL18073599 0.84 EPHX2 (0.39) CD38
SCHEMBL16666070 0.82 JAK2 (0.39) CD38ALDH1A1
SCHEMBL12018143 0.81 EPHX2 (0.44) CD38
SCHEMBL1425379 0.81 CD38 (0.43) CD38
SCHEMBL11878058 0.81 CD38 (0.46) CD38ALDH1A1
SCHEMBL10969412 0.79 HTT (0.47) CD38ALDH1A1
SCHEMBL2888808 0.77 EPHX1 (0.39) CD38
SCHEMBL23435085 0.75 CD38 (0.52) CD38NAMPT
SCHEMBL24908113 0.74 CD38 (0.43) CD38ALDH1A1

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-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 CD38 869/4885NAMPT 1492/4885ALDH1A1 518/4885

“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.