SCHEMBL11985018

SCHEMBL11985018

CC(C)(C)OC(=O)NC1CCN(CCn2cc(Br)cn2)CC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KCNA3 P22001 1/20 0.50
▸ DRD2 P14416 7/20 0.45
▸ DRD3 P35462 2/20 0.45
▸ CCR5 P51681 1/20 0.43
▸ CKS1B P61024 1/20 0.42
▸ SKP1 P63208 1/20 0.42
▸ SKP2 Q13309 1/20 0.42
▸ CTSK P43235 2/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ KDM1A O60341 1/20 0.39
▸ AKT1 P31749 1/20 0.39
▸ USP14 P54578 1/20 0.39
▸ NPY5R Q15761 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
SCHEMBL11908333 0.83 KMT2A (0.42) MEN1KMT2A
SCHEMBL1581610 0.78 CHRM2 (0.42) CKS1BSKP1SKP2
SCHEMBL26665267 0.77 KCNA3 (0.57) KCNA3DRD2DRD3CCR5CTSK
SCHEMBL30401098 0.76 KCNA3 (0.55) KCNA3DRD2DRD3CCR5MEN1
SCHEMBL26640819 0.76 KCNA3 (0.50) KCNA3DRD2DRD3CCR5CKS1B
SCHEMBL3956906 0.76 JAK1 (0.45) DRD2DRD3CKS1BSKP1SKP2
SCHEMBL915957 0.76 KCNA3 (0.56) KCNA3DRD2DRD3CCR5CTSK
SCHEMBL913704 0.76 KCNA3 (0.56) KCNA3DRD2DRD3CCR5CKS1B
SCHEMBL913264 0.76 KCNA3 (0.56) KCNA3DRD2DRD3CCR5CTSK
SCHEMBL15133835 0.76 MET (0.45) KCNA3DRD2DRD3CCR5CKS1B

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-8697725-B2 Tetrahydroquinoline derivatives and their pharmaceutical use GLAXOSMITHKLINE LLC (US) 2014-04-15 — — US disclosed
US-20120208798-A1 Tetrahydroquinoline Derivatives And Their Pharmaceutical Use GLAXOSMITHKLINE LLC 2012-08-16 — — US disclosed
WO-2011054841-A1 TETRAHYDROQUINOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE GLAXOSMITHKLINE LLC (US) 2011-05-12 — — 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-20120208798-A1 Tetrahydroquinoline Derivatives And Their Pharmaceutical Use ABCB1, CYP3A7, UGT2B7 KCNA3 993/4885DRD2 488/4885DRD3 1126/4885

“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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