SCHEMBL2538422

SCHEMBL2538422

COC(=O)c1cc(F)cc2c1NC(c1cccc(Br)c1)C(C)(C)C2O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
POLB P06746 2/20 0.36
RECQL P46063 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 2/20 0.33
NR4A2 P43354 1/20 0.33
GAA P10253 2/20 0.32
PDK2 Q15119 1/20 0.32
CYP1A2 P05177 1/20 0.32
NOTCH1 P46531 1/20 0.32

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
SCHEMBL2532518 0.88 TSHR (0.39) TSHRNPSR1POLBRECQLLMNA
SCHEMBL2534118 0.87 TSHR (0.40) TSHRNPSR1POLBRECQLLMNA
SCHEMBL2535690 0.85 TSHR (0.39) TSHRNPSR1POLBRECQLLMNA
SCHEMBL2532148 0.82 TSHR (0.39) TSHRNPSR1POLBRECQLLMNA
SCHEMBL2533857 0.81 TSHR (0.39) TSHRNPSR1POLBRECQLLMNA
SCHEMBL2532305 0.80 TSHR (0.39) TSHRNPSR1POLBRECQLLMNA
SCHEMBL2534251 0.78 NPSR1 (0.39) TSHRNPSR1POLBRECQLLMNA
SCHEMBL2537495 0.75 TSHR (0.39) TSHRNPSR1POLBRECQLLMNA
SCHEMBL2532540 0.75 TSHR (0.39) TSHRNPSR1POLBRECQLLMNA
SCHEMBL11025003 0.75 TSHR (0.39) TSHRNPSR1POLBRECQLLMNA

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 853/4885POLB 4481/4885
US-20130023518-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES QDPR, PRMT3, PRMT1 TSHR 1338/4885NPSR1 853/4885POLB 4481/4885

“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.