SCHEMBL2135630

SCHEMBL2135630

CC1(C)CC(c2ccccc2N)Nc2ccc(C#N)cc21

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ F7 P08709 2/20 0.37
▸ F10 P00742 1/20 0.37
▸ F11 P03951 1/20 0.37
▸ CYP11B2 P19099 2/20 0.35
▸ KDM1A O60341 2/20 0.35
▸ PGR P06401 4/20 0.32
▸ BACE1 P56817 3/20 0.32
▸ NSD2 O96028 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ ABCB1 P08183 2/20 0.31
▸ KMT2A Q03164 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
SCHEMBL2134584 0.86 F7 (0.37) F7F10F11CYP11B2KDM1A
SCHEMBL2730591 0.83 F7 (0.43) F7F10F11CYP11B2KDM1A
SCHEMBL2139850 0.83 F7 (0.33) F7ALDH1A1
SCHEMBL2137370 0.81 PRKAB2 (0.38) F7PGRKDM4EGAAKMT2A
SCHEMBL2136527 0.81 CUL4A (0.37) F7F10F11CYP11B2PGR
SCHEMBL4961191 0.81 HTR2A (0.36) KDM1AALDH1A1KMT2A
SCHEMBL2134549 0.80 F7 (0.43) F7F10F11CYP11B2KDM1A
SCHEMBL2135919 0.79 PARP14 (0.38) F7F10F11CYP11B2PGR
SCHEMBL2135149 0.79 CTSD (0.35) KDM1AALDH1A1KDM4EGAAKMT2A
SCHEMBL2138126 0.78 PRKAB2 (0.47) F7F10F11KDM1A

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 10 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
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
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
CN-103168031-A Tetrahydroquinoline derivatives used as AMPK activators HOFFMANN LA ROCHE 2013-06-19 — — CN 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 (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 F7 4761/4885F10 4686/4885F11 4766/4885

“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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