SCHEMBL14331263

SCHEMBL14331263

CC1(C)Cc2cc([C]=O)ccc2NC1c1cc(OC(N)=O)cc(N2CCOCC2)c1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ABHD6 Q9BV23 1/20 0.34
▸ KIF11 P52732 2/20 0.33
▸ MEN1 O00255 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ CYP2C19 P33261 1/20 0.30
▸ ALDH1A1 P00352 2/20 0.30
▸ USP2 O75604 1/20 0.30
▸ PSMD14 O00487 1/20 0.30

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
SCHEMBL14331260 0.89 ALDH1A1 (0.35) ABHD6KIF11MEN1MAPTKMT2A
SCHEMBL14331228 0.85 MAPT (0.34) ABHD6KIF11MEN1MAPTKMT2A
SCHEMBL14331185 0.81 MAP2 (0.34) ABHD6KIF11MEN1MAPTKMT2A
SCHEMBL14331229 0.80 DRD2 (0.43) ABHD6MEN1MAPTKMT2AALDH1A1
SCHEMBL14331269 0.79 KIF11 (0.38) ABHD6KIF11MEN1MAPTKMT2A
SCHEMBL14331259 0.78 CYP2C19 (0.41) ABHD6KIF11MEN1MAPTKMT2A
SCHEMBL15509434 0.78 MAPT (0.39) ABHD6KIF11MEN1MAPTKMT2A
SCHEMBL2530901 0.77 ALDH1A1 (0.40) ABHD6KIF11MEN1MAPTKMT2A
SCHEMBL14331192 0.77 MKNK1 (0.35) KIF11MAPTCYP2C19
SCHEMBL15509851 0.77 MAPT (0.36) ABHD6KIF11MEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2558449-B1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-03-05 — — EP disclosed
US-8586747-B2 3,3-dimethyl tetrahydroquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2013-11-19 — — US disclosed
EP-2558449-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2013-02-20 — — EP disclosed
US-20130023518-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES Hoffmann-La Roche Inc (US) 2013-01-24 — — US disclosed
US-8344137-B2 3,3-dimethyl tetrahydroquinoline derivatives HOFFMAN-LA ROCHE INC. (US) 2013-01-01 — — 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-20130023518-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES QDPR, PRMT3, PRMT1 ABHD6 3692/4885KIF11 3355/4885MEN1 353/4885

“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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