SCHEMBL2135559

SCHEMBL2135559

CN1c2ccc(C(F)(F)F)cc2C(C)(C)CC1c1cccc(NC2(C(=O)O)CC2)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 4/20 0.38
▸ HSPA9 P38646 3/20 0.38
▸ GRM5 P41594 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ RXRA P19793 1/20 0.36
▸ TRPV1 Q8NER1 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ UBE2M P61081 1/20 0.35
▸ DCUN1D1 Q96GG9 1/20 0.35
▸ FABP4 P15090 1/20 0.35
▸ EPHX2 P34913 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ CXCR5 P32302 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
SCHEMBL2133810 0.84 HSPA9 (0.36) GRIN2BHSPA9GRM5LMNARXRA
Bicarbonate SCHEMBL16239730 0.84 CCR5 (0.36) GRIN2BHSPA9GRM5LMNAUBE2M
SCHEMBL2134615 0.84 GRIN2B (0.38) GRIN2BGRM5RXRASMN1; SMN2CXCR5
SCHEMBL2138497 0.81 HSPA9 (0.39) GRIN2BHSPA9GRM5LMNATRPV1
SCHEMBL2139566 0.77 KDM1A (0.34) HSPA9
SCHEMBL2134532 0.69 GRM5 (0.34) GRIN2BGRM5RXRA
Bicarbonate SCHEMBL16239553 0.68 BRD4 (0.35) GRIN2BGRM5RXRA
SCHEMBL2136073 0.66 PRKAG1 (0.37) GRIN2B
SCHEMBL2138673 0.65 LMNA (0.37) GRIN2BLMNATRPV1SMN1; SMN2EPHX2
SCHEMBL2134792 0.65 NPC1 (0.31) LMNA

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 1681/4885HSPA9 2074/4885GRM5 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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