SCHEMBL8718164

SCHEMBL8718164

CCOC(=O)C1CCC2CCC1C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.45
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.42
HSD11B1 P28845 1/20 0.41
GRM1 Q13255 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
PPM1B O75688 1/20 0.39
PTPN1 P18031 1/20 0.39
PPP1CC P36873 1/20 0.39
MAPT P10636 2/20 0.38
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 1/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL19229939 1.00 EPHX2 (0.45) EPHX2ALDH1A1POLBHSD11B1GRM1
SCHEMBL4909264 0.93 MEN1 (0.41) EPHX2ALDH1A1POLBHSD11B1GRM1
SCHEMBL1862636 0.91 POLB (0.49) EPHX2ALDH1A1POLBHSD11B1GRM1
SCHEMBL31178057 0.91 POLB (0.49) EPHX2ALDH1A1POLBHSD11B1GRM1
Hydrochloric Acid SCHEMBL4279690 0.89 POLB (0.47) EPHX2ALDH1A1POLBHSD11B1GRM1
SCHEMBL24197804 0.89 EPHX2 (0.42) EPHX2ALDH1A1POLBHSD11B1MEN1
SCHEMBL22828634 0.89 EPHX2 (0.42) EPHX2ALDH1A1POLBHSD11B1MEN1
SCHEMBL16728406 0.89 EPHX2 (0.42) EPHX2ALDH1A1POLBHSD11B1MEN1
SCHEMBL23986657 0.89 EPHX2 (0.42) EPHX2ALDH1A1POLBHSD11B1MEN1
Hydrochloric Acid SCHEMBL29928929 0.87 EPHX2 (0.41) EPHX2ALDH1A1POLBHSD11B1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170233385-A1 PIPERIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONIST SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2017-08-17 US disclosed
EP-0858461-A1 FUSED TROPANE-DERIVATIVES AS NEUROTRANSMITTER REUPTAKE INHIBITORS NEUROSEARCH A/S (DK) 1998-08-19 EP disclosed
WO-1997016451-A1 FUSED TROPANE-DERIVATIVES AS NEUROTRANSMITTER REUPTAKE INHIBITORS NEUROSEARCH A/S (DK) 1997-05-09 WO 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-20170233385-A1 PIPERIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONIST HCRTR1, HCRTR2, OPRD1 EPHX2 3440/4885ALDH1A1 1839/4885POLB 2925/4885

“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.