SCHEMBL17130331

SCHEMBL17130331

C[C@H](c1ccccc1)N1CCCC[C@H]1CCC[C@@H]1CCCCN1[C@H](C)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.41
HIF1A Q16665 1/20 0.41
SLC18A2 Q05940 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
OPRL1 P41146 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
MC4R P32245 1/20 0.39

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
SCHEMBL18729768 1.00 CYP2D6 (0.43) CYP2D6KDM4ECYP1A2HIF1ASLC18A2
SCHEMBL17114336 0.90 CYP2D6 (0.42) CYP2D6KDM4ECYP1A2HIF1ASLC18A2
SCHEMBL17114335 0.90 CYP2D6 (0.42) CYP2D6KDM4ECYP1A2HIF1ASLC18A2
SCHEMBL18751626 0.86 CYP2D6 (0.44) CYP2D6KDM4ECYP1A2HIF1AOPRM1
SCHEMBL17114345 0.85 KDM4E (0.46) CYP2D6KDM4ECYP1A2HIF1AOPRM1
SCHEMBL17114344 0.85 KDM4E (0.46) CYP2D6KDM4ECYP1A2HIF1AOPRM1
SCHEMBL17114374 0.84 SLC18A2 (0.45) CYP2D6CYP1A2HIF1ASLC18A2
SCHEMBL17114376 0.84 SLC18A2 (0.45) CYP2D6CYP1A2HIF1ASLC18A2
SCHEMBL7250816 0.84 SLC18A2 (0.45) CYP2D6CYP1A2HIF1ASLC18A2
SCHEMBL9682491 0.81 OPRM1 (0.44) CYP2D6OPRM1OPRD1OPRK1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9981957-B2 Synthetic process THE UNIVERSITY OF LIVERPOOL (GB) 2018-05-29 US disclosed
US-9981957-B2 Synthetic process THE UNIVERSITY OF LIVERPOOL (GB) 2018-05-29 US disclosed
US-9981957-B2 Synthetic process THE UNIVERSITY OF LIVERPOOL (GB) 2018-05-29 US disclosed
US-20170107208-A1 SYNTHETIC PROCESS THE UNIVERSITY OF LIVERPOOL (GB) 2017-04-20 US disclosed
US-20170107208-A1 SYNTHETIC PROCESS THE UNIVERSITY OF LIVERPOOL (GB) 2017-04-20 US disclosed
US-20170107208-A1 SYNTHETIC PROCESS THE UNIVERSITY OF LIVERPOOL (GB) 2017-04-20 US disclosed
WO-2015145143-A1 SYNTHETIC PROCESS THE UNIVERSITY OF LIVERPOOL (GB) 2015-10-01 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-20170107208-A1 SYNTHETIC PROCESS PIR, SRM, SMS CYP2D6 111/4885KDM4E 1105/4885CYP1A2 176/4885

“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.