SCHEMBL2534264

SCHEMBL2534264

CC1(C)Cc2cc(C(=O)O)ccc2NC1c1ccccc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK2 Q92630 1/20 0.41
SRD5A2 P31213 3/20 0.36
SRD5A1 P18405 2/20 0.36
PDE5A O76074 1/20 0.36
MAPT P10636 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 2/20 0.36
GAA P10253 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
PSD A5PKW4 1/20 0.36
KDM4E B2RXH2 1/20 0.36
RXRA P19793 1/20 0.35
MASP2 O00187 1/20 0.35
HSPA1A P0DMV8 1/20 0.35
CD44 P16070 1/20 0.35
PTPN1 P18031 1/20 0.35

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
SCHEMBL2530117 0.85 AR (0.44) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL15495131 0.84 ALDH1A1 (0.35) DYRK2SRD5A2SRD5A1MAPTMEN1
SCHEMBL2530126 0.84 ALDH1A1 (0.40) SRD5A2SRD5A1MAPTMEN1KMT2A
SCHEMBL2533782 0.81 NEU3 (0.38) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL12219890 0.81 KMO (0.43) SRD5A2SRD5A1MAPTMEN1KMT2A
SCHEMBL2527714 0.81 SRD5A1 (0.41) DYRK2SRD5A2SRD5A1PDE5AMAPT
SCHEMBL2529037 0.80 ALDH1A1 (0.32) SRD5A2SRD5A1MAPTMEN1KMT2A
SCHEMBL2555879 0.80 MEN1 (0.36) DYRK2SRD5A2SRD5A1MAPTMEN1
SCHEMBL2535888 0.80 SIRT2 (0.34) SRD5A2SRD5A1MAPTMEN1KMT2A
SCHEMBL2532897 0.80 GCK (0.38) MAPTMEN1KMT2AALDH1A1GAA

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 DYRK2 996/4885SRD5A2 312/4885SRD5A1 242/4885
US-20130023518-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES QDPR, PRMT3, PRMT1 DYRK2 996/4885SRD5A2 312/4885SRD5A1 242/4885

“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.