SCHEMBL2134615

SCHEMBL2134615

CN1c2ccc(C#N)cc2C(C)(C)CC1c1cccc(NC2(C(=O)O)CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 3/20 0.38
▸ HIF1A Q16665 2/20 0.37
▸ GRM5 P41594 1/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPK1 P28482 3/20 0.35
▸ ACHE P22303 2/20 0.35
▸ USP2 O75604 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ BCHE P06276 1/20 0.35
▸ RXRA P19793 1/20 0.35
▸ ROCK2 O75116 2/20 0.34
▸ RARA P10276 1/20 0.34
▸ RARB P10826 1/20 0.34
▸ RARG P13631 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ HPGD P15428 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
Bicarbonate SCHEMBL16239553 0.84 BRD4 (0.35) GRIN2BGRM5RXRAROCK2CYP3A4
SCHEMBL2134532 0.84 GRM5 (0.34) GRIN2BGRM5ALDH1A1ACHEBCHE
SCHEMBL2135981 0.81 F10 (0.43) GRIN2BHIF1AGRM5CYP1A2TSHR
SCHEMBL2133441 0.77 MAPK1 (0.34) TSHRCYP2D6ALDH1A1MAPK1SMN1; SMN2
SCHEMBL2134564 0.74 GRIN2B (0.36) GRIN2BHIF1AGRM5CYP1A2TSHR
SCHEMBL2133024 0.73 GRIN2B (0.35) GRIN2BHIF1AGRM5CYP1A2TSHR
SCHEMBL6989644 0.68 ALDH1A1 (0.51) GRIN2BHIF1ACYP1A2TSHRCYP2D6
SCHEMBL2133810 0.68 HSPA9 (0.36) GRIN2BGRM5SMN1; SMN2RXRA
Bicarbonate SCHEMBL16239730 0.68 CCR5 (0.36) GRIN2BGRM5
SCHEMBL6991463 0.67 TSHR (0.51) GRIN2BHIF1ACYP1A2TSHRCYP2D6

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 14 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 claimed
US-8546427-B2 Tetrahydroquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2013-10-01 — — US claimed
EP-2630124-A1 TETRAHYDROQUINOLINE DERIVATIVES USED AS AMPK ACTIVATORS F.HOFFMANN-LA ROCHE AG (CH) 2013-08-28 — — EP claimed
US-20120101127-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES HUA MEDICINE (KY) 2012-04-26 — — US claimed
WO-2012052372-A1 TETRAHYDROQUINOLINE DERIVATIVES USED AS AMPK ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-04-26 — — WO claimed
EP-2630124-B1 TETRAHYDROQUINOLINE DERIVATIVES USED AS AMPK ACTIVATORS HOFFMANN LA ROCHE (CH) 2014-11-19 — — EP disclosed
EP-2630124-B1 TETRAHYDROQUINOLINE DERIVATIVES USED AS AMPK ACTIVATORS HOFFMANN LA ROCHE (CH) 2014-11-19 — — EP disclosed
US-8546427-B2 Tetrahydroquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2013-10-01 — — US 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
US-20120101127-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES HUA MEDICINE (KY) 2012-04-26 — — 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
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 (1 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-20120101127-A1 NOVEL TETRAHYDROQUINOLINE DERIVATIVES PRKAG1, PRKAB1, PRKAG2 GRIN2B 1681/4885HIF1A 726/4885GRM5 2046/4885

“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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