SCHEMBL2140705

SCHEMBL2140705

COC(=O)c1cccc2c1NC(c1cccc(Br)c1)CC2(C)C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ POLB P06746 2/20 0.38
▸ RECQL P46063 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ ROCK2 O75116 1/20 0.35
▸ F10 P00742 1/20 0.35
▸ F11 P03951 1/20 0.35
▸ F7 P08709 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ NR4A2 P43354 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HDAC11 Q96DB2 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ GAA P10253 1/20 0.34

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
SCHEMBL11025003 0.88 TSHR (0.39) TSHRNPSR1POLBRECQLLMNA
SCHEMBL2138997 0.88 TSHR (0.39) TSHRNPSR1POLBRECQLLMNA
SCHEMBL11026450 0.82 TSHR (0.42) TSHRNPSR1POLBRECQLLMNA
SCHEMBL45455 0.80 F11 (0.49) TSHRNPSR1POLBRECQLLMNA
SCHEMBL11028491 0.80 F10 (0.44) TSHRNPSR1POLBRECQLLMNA
SCHEMBL11024121 0.71 TP53 (0.44) POLBALDH1A1F10F11F7
SCHEMBL2133131 0.71 KDM4E (0.38) ALDH1A1F10F11F7MAPT
SCHEMBL2134178 0.71 MEN1 (0.38) ALDH1A1F10F11F7MAPT
SCHEMBL2136714 0.70 KMT2A (0.36) NPSR1POLBLMNAALDH1A1KMT2A
SCHEMBL11026104 0.70 ALDH1A1 (0.40) TSHRNPSR1LMNAALDH1A1F10

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2630124-B1 TETRAHYDROQUINOLINE DERIVATIVES USED AS AMPK ACTIVATORS HOFFMANN LA ROCHE (CH) 2014-11-19 — — EP disclosed
US-8809369-B2 Tetrahydroquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2014-08-19 — — US disclosed
EP-2668165-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2013-12-04 — — EP disclosed
US-8546427-B2 Tetrahydroquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2013-10-01 — — US disclosed
EP-2630124-A1 TETRAHYDROQUINOLINE DERIVATIVES USED AS AMPK ACTIVATORS F.HOFFMANN-LA ROCHE AG (CH) 2013-08-28 — — EP disclosed
WO-2012101068-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-08-02 — — WO disclosed
US-20120190677-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 — — US disclosed
US-20120101127-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES HUA MEDICINE (KY) 2012-04-26 — — US disclosed
WO-2012052372-A1 TETRAHYDROQUINOLINE DERIVATIVES USED AS AMPK ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-04-26 — — WO 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-20120190677-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES RAB1A, RABL3, RAB7A TSHR 779/4885NPSR1 766/4885POLB 3765/4885
US-20120101127-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES PRKAG1, PRKAB1, PRKAG2 TSHR 1744/4885NPSR1 3508/4885POLB 3819/4885

“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.

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