SCHEMBL12894150

SCHEMBL12894150

[C-]#[N+]c1ccc2c(c1)CC(NC(=O)OC(C)(C)C)CN2

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.65
▸ HDAC8 Q9BY41 11/20 0.41
▸ MAPK1 P28482 2/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ KDM1A O60341 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35

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
SCHEMBL3287288 0.82 EPHX2 (0.70) EPHX2HDAC8MAPK1DRD2GAA
SCHEMBL464347 0.82 EPHX2 (0.70) EPHX2HDAC8MAPK1GAAKDM1A
SCHEMBL461147 0.80 EPHX2 (0.65) EPHX2HDAC8MAPK1DRD2
SCHEMBL464351 0.79 EPHX2 (1.00) EPHX2HDAC8MAPK1DRD2GAA
SCHEMBL13324572 0.78 HDAC8 (0.42) EPHX2HDAC8MAPK1
SCHEMBL24096619 0.77 EPHX2 (0.65) EPHX2HDAC8GAAKDM1AMAOB
SCHEMBL30767948 0.77 EPHX2 (0.73) EPHX2HDAC8MAPK1GAAKDM1A
SCHEMBL13324569 0.76 HDAC8 (0.46) EPHX2HDAC8MAPK1DRD2
SCHEMBL12894154 0.75 HDAC8 (0.44) EPHX2HDAC8MAPK1
SCHEMBL13324488 0.75 HDAC8 (0.44) EPHX2HDAC8MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7884113-B2 Tetrahydroquinoline derivatives as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-08 — — US disclosed
US-7709647-B2 Tetrahydroquinoline cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2010-05-04 — — US disclosed
US-20080200459-A1 TETRAHYDROQUINOLINE CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2008-08-21 — — US disclosed
US-20080194625-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2008-08-14 — — 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 (2 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-20080200459-A1 TETRAHYDROQUINOLINE CANNABINOID RECEPTOR MODULATORS CNR1, CNR2, GPR18 EPHX2 753/4885HDAC8 2230/4885MAPK1 2015/4885
US-20080194625-A1 TETRAHYDROQUINOLINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS CNR2, CNR1, OPRL1 EPHX2 1569/4885HDAC8 2618/4885MAPK1 1461/4885

“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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