SCHEMBL12219946

SCHEMBL12219946

CC(C)(N)COc1cccc(C2Nc3ccc(C(=O)O)cc3CC2(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NR4A2 P43354 2/20 0.34
▸ NR4A1 P22736 2/20 0.34
▸ NR4A3 Q92570 1/20 0.34
▸ F11 P03951 4/20 0.34
▸ F10 P00742 3/20 0.34
▸ F7 P08709 3/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SSTR4 P31391 1/20 0.32
▸ RXRA P19793 1/20 0.32
▸ RXRB P28702 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ MRGPRX4 Q96LA9 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ ALOX12 P18054 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ SMN1; SMN2 Q16637 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
SCHEMBL2532950 0.87 F11 (0.33) NR4A2NR4A1NR4A3F11F10
SCHEMBL2531404 0.84 NPC1 (0.42) KMT2AALDH1A1MRGPRX4LMNA
SCHEMBL2531578 0.84 BCL9 (0.37) LMNA
SCHEMBL12219890 0.83 KMO (0.43) NR4A1F11F10F7KMT2A
SCHEMBL12289319 0.80 NR4A1 (0.34) NR4A1F11F10F7KMT2A
SCHEMBL2532170 0.80 F11 (0.38) NR4A1F11F10F7KMT2A
SCHEMBL2530850 0.80 PARP1 (0.41) NR4A1F11F10F7KMT2A
SCHEMBL2530126 0.80 ALDH1A1 (0.40) NR4A1F11F10F7KMT2A
SCHEMBL2533556 0.78 ALDH1A1 (0.41) F11F10F7KMT2AALDH1A1
SCHEMBL2527714 0.78 SRD5A1 (0.41) NR4A1F11F10F7KMT2A

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-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
US-20130023518-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES Hoffmann-La Roche Inc (US) 2013-01-24 — — US 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
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
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 NR4A2 2715/4885NR4A1 1891/4885NR4A3 1958/4885
US-20130023518-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES QDPR, PRMT3, PRMT1 NR4A2 2715/4885NR4A1 1891/4885NR4A3 1958/4885

“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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