SCHEMBL2535628

SCHEMBL2535628

CC1(C)Cc2cc(Cl)ccc2NC1c1cccc(C(=O)O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 1/20 0.40
PRKAG1 P54619 1/20 0.40
PRKAA2 P54646 1/20 0.40
PRKAA1 Q13131 1/20 0.40
PRKAG3 Q9UGI9 1/20 0.40
PRKAG2 Q9UGJ0 1/20 0.40
PRKAB1 Q9Y478 1/20 0.40
KMO O15229 1/20 0.39
SRD5A1 P18405 1/20 0.39
SRD5A2 P31213 1/20 0.39
ATM Q13315 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
AKR1C3 P42330 2/20 0.36
AKR1C1 Q04828 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
TRPM4 Q8TD43 1/20 0.36
TRPM5 Q9NZQ8 1/20 0.36
PLK1 P53350 1/20 0.36

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
SCHEMBL12219890 0.90 KMO (0.43) KMOSRD5A1SRD5A2MEN1KMT2A
SCHEMBL2529477 0.87 RARA (0.38) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL2530850 0.85 PARP1 (0.41) KMOMEN1KMT2AMAPT
SCHEMBL2532758 0.84 GSK3B (0.37) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL2530126 0.84 ALDH1A1 (0.40) KMOSRD5A1SRD5A2MEN1KMT2A
SCHEMBL2534189 0.84 RAB9A (0.43) MEN1KMT2AMAPTHTTNPC1
SCHEMBL2533556 0.83 ALDH1A1 (0.41) KMOMEN1KMT2AMAPTNPC1
SCHEMBL2532764 0.83 F10 (0.41) KMOMAPTMRGPRX4NPC1RAB9A
SCHEMBL2533539 0.83 BCL2L1 (0.41) KMOMEN1KMT2AMAPTHTT
SCHEMBL2532170 0.83 F11 (0.38) KMOMEN1KMT2AMAPT

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 7 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
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 PRKAB2 3022/4885PRKAG1 3449/4885PRKAA2 2413/4885
US-20130023518-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES QDPR, PRMT3, PRMT1 PRKAB2 3022/4885PRKAG1 3449/4885PRKAA2 2413/4885

“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.