SCHEMBL2537495

SCHEMBL2537495

COC(=O)c1c(F)ccc2c1C(O)C(C)(C)C(c1cccc(Br)c1)N2

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 2/20 0.35
RECQL P46063 2/20 0.35
LMNA P02545 2/20 0.35
GAA P10253 2/20 0.34
ALOX5 P09917 1/20 0.34
MAPT P10636 3/20 0.33
CCR1 P32246 1/20 0.32
CCR2 P41597 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
BDKRB1 P46663 1/20 0.31
NOTCH1 P46531 1/20 0.31
TP53 P04637 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
SCHEMBL2533049 0.88 TSHR (0.39) TSHRNPSR1MEN1KMT2APOLB
SCHEMBL2532148 0.83 TSHR (0.39) TSHRNPSR1POLBRECQLLMNA
SCHEMBL2535690 0.82 TSHR (0.39) TSHRNPSR1MEN1KMT2APOLB
SCHEMBL2530894 0.80 TSHR (0.39) TSHRNPSR1MEN1KMT2APOLB
SCHEMBL2532918 0.80 TSHR (0.39) TSHRNPSR1MEN1KMT2APOLB
SCHEMBL2534118 0.76 TSHR (0.40) TSHRNPSR1KMT2APOLBRECQL
SCHEMBL2538422 0.75 TSHR (0.39) TSHRNPSR1KMT2APOLBRECQL
SCHEMBL2534251 0.75 NPSR1 (0.39) TSHRNPSR1MEN1KMT2APOLB
SCHEMBL2532518 0.73 TSHR (0.39) TSHRNPSR1MEN1KMT2APOLB
SCHEMBL2532305 0.71 TSHR (0.39) TSHRNPSR1MEN1KMT2APOLB

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 TSHR 1338/4885NPSR1 853/4885MEN1 353/4885
US-20130023518-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES QDPR, PRMT3, PRMT1 TSHR 1338/4885NPSR1 853/4885MEN1 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.