SCHEMBL14331327

SCHEMBL14331327

Cc1ccc(F)cc1C1Nc2ccc(C(N)=O)cc2CC1(C)C

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 1/20 0.37
▸ KMT2A Q03164 4/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ MAPK14 Q16539 2/20 0.34
▸ HTR7 P34969 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ HTT P42858 1/20 0.33
▸ PARP1 P09874 1/20 0.33
▸ HTR1D P28221 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ SLC9A1 P19634 4/20 0.32
▸ SLC9A2 Q9UBY0 4/20 0.32
▸ SLC9A3 P48764 2/20 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
SCHEMBL2533323 0.90 HTR7 (0.42) KMT2AMEN1HDAC3HTR7TP53
SCHEMBL2536436 0.85 MAPT (0.41) KMT2AMEN1MAPK14HTR7TP53
SCHEMBL14331318 0.84 SIRT2 (0.39) SIRT2KMT2AMEN1MAPK14HTR7
SCHEMBL2530921 0.81 SCN9A (0.43) HTR7
SCHEMBL14331258 0.78 OPRM1 (0.36) SIRT2KMT2AMEN1
SCHEMBL14331349 0.76 HTR1D (0.35) SIRT2TP53HTR1DSLC6A4
SCHEMBL14331326 0.75 SLC9A1 (0.32) KMT2AMEN1TP53SLC9A1SLC9A2
SCHEMBL2531412 0.74 MAPT (0.37) KMT2AMEN1HTR7
SCHEMBL14331222 0.74 HTR1D (0.39) PARP1HTR1DSLC6A4
SCHEMBL2530850 0.73 PARP1 (0.41) SIRT2KMT2AMEN1PARP1

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 SIRT2 284/4885KMT2A 661/4885MEN1 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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