SCHEMBL14012180

SCHEMBL14012180

O=c1[nH]c(-c2ccc3c(c2)Oc2ccccc2C3C2CCN(CC3=NCCN3)CC2)no1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 3/20 0.35
▸ MAPT P10636 2/20 0.34
▸ RGS12 O14924 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ CASP7 P55210 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ NISCH Q9Y2I1 1/20 0.34
▸ XDH P47989 2/20 0.32
▸ DPP4 P27487 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ DPP7 Q9UHL4 1/20 0.32

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
SCHEMBL5103268 0.84 PARP1 (0.40) PLA2G2AMAPTXDHDPP4KCNH2
SCHEMBL4508872 0.83 PLA2G2A (0.39) PLA2G2AKDM4EXDHDPP4KCNH2
SCHEMBL4517190 0.80 PARP1 (0.38) XDHDPP4KCNH2DPP7
SCHEMBL13711483 0.75 PARP1 (0.36) XDHDPP4KCNH2DPP7
SCHEMBL4514644 0.74 KCNH2 (0.38) XDHDPP4KCNH2DPP7
SCHEMBL13711485 0.71 XDH (0.33) PLA2G2AXDH
SCHEMBL5126302 0.67 L3MBTL1 (0.38) PLA2G2AKDM4ECYP1A2KMT2AXDH
SCHEMBL5091881 0.66 ACHE (0.46) MAPT
SCHEMBL5097000 0.66 L3MBTL1 (0.41) MAPTKDM4ECYP1A2KMT2A
SCHEMBL5091888 0.66 KDM4E (0.36) MAPTKDM4EMEN1KMT2A

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-20080306111-A1 TRICYCLIC DELTA- OPIOID MODULATORS CARSON JOHN R 2008-12-11 — — 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-20080306111-A1 TRICYCLIC DELTA- OPIOID MODULATORS OPRD1, OPRK1, OPRL1 PLA2G2A 3722/4885MAPT 1156/4885RGS12 616/4885

“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.

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