SCHEMBL14331185

SCHEMBL14331185

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP2 P11137 1/20 0.34
▸ KIF11 P52732 2/20 0.33
▸ ABHD6 Q9BV23 1/20 0.33
▸ MAPT P10636 5/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ PIK3C3 Q8NEB9 1/20 0.32
▸ MEN1 O00255 3/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ CYP2C19 P33261 1/20 0.31
▸ HPGD P15428 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ MCL1 Q07820 1/20 0.31
▸ ALK Q9UM73 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ ADK P55263 2/20 0.31
▸ PSMD14 O00487 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ GLA P06280 1/20 0.30
▸ GAA P10253 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
SCHEMBL14331269 0.90 KIF11 (0.38) KIF11ABHD6MAPTMEN1KMT2A
SCHEMBL14331228 0.90 MAPT (0.34) KIF11ABHD6MAPTPIK3C3MEN1
SCHEMBL14331259 0.89 CYP2C19 (0.41) KIF11ABHD6MAPTMEN1KMT2A
SCHEMBL14331192 0.87 MKNK1 (0.35) KIF11MAPTCYP2C19ADKIRAK4
SCHEMBL14331221 0.84 KIF11 (0.36) KIF11ABHD6HPGDALDH1A1KDM4E
SCHEMBL14331251 0.83 ALDH1A1 (0.36) SMN1; SMN2CYP2C19HPGDLMNAALDH1A1
SCHEMBL14331260 0.83 ALDH1A1 (0.35) KIF11ABHD6MAPTMEN1KMT2A
SCHEMBL14331348 0.82 KIF11 (0.30) KIF11
SCHEMBL14331263 0.81 ABHD6 (0.34) KIF11ABHD6MAPTMEN1KMT2A
SCHEMBL14331186 0.79 MAP2 (0.38) MAP2KIF11ABHD6MAPTSMN1; SMN2

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 9 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 claimed
US-8586747-B2 3,3-dimethyl tetrahydroquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2013-11-19 — — US claimed
EP-2558449-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2013-02-20 — — EP claimed
US-20130023518-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES Hoffmann-La Roche Inc (US) 2013-01-24 — — US claimed
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 MAP2 840/4885KIF11 3355/4885ABHD6 3692/4885

“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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