SCHEMBL2536317

SCHEMBL2536317

CC1(C)Cc2cc(C(=O)O)ccc2NC1c1ccc(F)c(N)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKAG1 P54619 2/20 0.38
▸ PRKAA1 Q13131 2/20 0.38
▸ PRKAB1 Q9Y478 2/20 0.38
▸ PRKAB2 O43741 1/20 0.38
▸ PRKAA2 P54646 1/20 0.38
▸ PRKAG3 Q9UGI9 1/20 0.38
▸ PRKAG2 Q9UGJ0 1/20 0.38
▸ KDM4E B2RXH2 4/20 0.34
▸ MAPT P10636 3/20 0.34
▸ MEN1 O00255 4/20 0.33
▸ KMT2A Q03164 4/20 0.33
▸ RARB P10826 2/20 0.33
▸ RARG P13631 2/20 0.33
▸ RXRA P19793 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ RARA P10276 1/20 0.33
▸ GFER P55789 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ POLB P06746 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33

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
SCHEMBL2529433 0.87 PRKAG1 (0.46) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL2587428 0.87 ABCC9 (0.40) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL2532073 0.85 MAPT (0.37) KDM4EMAPTMEN1KMT2ARARB
SCHEMBL2530600 0.83 TSHR (0.38) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL2531412 0.83 MAPT (0.37) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL12219890 0.83 KMO (0.43) KDM4EMAPTMEN1KMT2AGAA
SCHEMBL2532170 0.82 F11 (0.38) KDM4EMAPTMEN1KMT2AGAA
SCHEMBL2567515 0.82 KDM4E (0.37) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL2530126 0.81 ALDH1A1 (0.40) KDM4EMAPTMEN1KMT2AGAA
SCHEMBL2529499 0.81 CYP26A1 (0.36) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2

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
CN-102858746-B Novel 3,3-dimethyl tetrahydroquinoline derivatives HOFFMANN LA ROCHE 2014-07-16 — — CN disclosed
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
CN-102858746-A Novel 3,3-dimethyl tetrahydroquinoline derivatives HOFFMANN LA ROCHE 2013-01-02 — — CN disclosed
US-8344137-B2 3,3-dimethyl tetrahydroquinoline derivatives HOFFMAN-LA ROCHE INC. (US) 2013-01-01 — — US disclosed
WO-2011128251-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-10-20 — — WO disclosed
US-20110257151-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES HUA MEDICINE (KY) 2011-10-20 — — 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-20110257151-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES QDPR, PRMT3, PRMT1 PRKAG1 3449/4885PRKAA1 2254/4885PRKAB1 2849/4885
US-20130023518-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES QDPR, PRMT3, PRMT1 PRKAG1 3449/4885PRKAA1 2254/4885PRKAB1 2849/4885

“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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