SCHEMBL2532874

SCHEMBL2532874

CC(C)N1CCN(c2cc(F)cc(C3Nc4ccc(C(=O)O)cc4CC3(C)C)c2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.37
HDAC4 P56524 2/20 0.35
RAD52 P43351 1/20 0.34
F12 P00748 1/20 0.32
IGF1R P08069 2/20 0.32
FFAR4 Q5NUL3 1/20 0.32
GAA P10253 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
APOBEC3A P31941 1/20 0.32
KMT2A Q03164 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ADAMTS4 O75173 1/20 0.31
ADAMTS5 Q9UNA0 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGAV P06756 1/20 0.31
HRH3 Q9Y5N1 3/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL2532994 0.90 TTR (0.37) TTRGAAALDH1A1MEN1POLB
SCHEMBL2530573 0.88 GAA (0.36) GAAALDH1A1MEN1POLBKMT2A
SCHEMBL2531433 0.88 CTNNB1 (0.38) TTRALDH1A1
SCHEMBL2531771 0.88 HDAC4 (0.34) HDAC4IGF1R
SCHEMBL2531412 0.83 MAPT (0.37) GAAALDH1A1MEN1POLBAPOBEC3A
SCHEMBL14331349 0.81 HTR1D (0.35) TTRGAAALDH1A1L3MBTL1KDM4E
SCHEMBL2533842 0.81 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL2531308 0.79 KMO (0.43) GAAALDH1A1MEN1POLBAPOBEC3A
SCHEMBL2580211 0.79 SRD5A1 (0.37) GAAALDH1A1MEN1POLBAPOBEC3A
SCHEMBL2531386 0.78 SIRT2 (0.40) GAAALDH1A1MEN1POLBKMT2A

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 TTR 4387/4885HDAC4 1386/4885RAD52 3360/4885
US-20130023518-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES QDPR, PRMT3, PRMT1 TTR 4387/4885HDAC4 1386/4885RAD52 3360/4885

“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.