SCHEMBL2530827

SCHEMBL2530827

COC(=O)c1ccc2c(c1)C(O)C(C)(C)C(c1ccccc1[N+](=O)[O-])N2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 5/20 0.48
▸ KMT2A Q03164 4/20 0.48
▸ ALDH1A1 P00352 4/20 0.48
▸ LMNA P02545 3/20 0.48
▸ CACNA1C Q13936 3/20 0.48
▸ CYP1A2 P05177 3/20 0.48
▸ MAPT P10636 3/20 0.48
▸ ABCC4 O15439 2/20 0.48
▸ CACNA1F O60840 2/20 0.48
▸ ABCB11 O95342 2/20 0.48
▸ ADORA3 P0DMS8 2/20 0.48
▸ ADORA2A P29274 2/20 0.48
▸ ADORA1 P30542 2/20 0.48
▸ OPRM1 P35372 2/20 0.48
▸ SCN1A P35498 2/20 0.48
▸ HTR2B P41595 2/20 0.48
▸ CACNA1D Q01668 2/20 0.48
▸ KCNH2 Q12809 2/20 0.48
▸ CACNA1S Q13698 2/20 0.48
▸ SCN5A Q14524 2/20 0.48

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
SCHEMBL2536265 0.83 MEN1 (0.46) HPGDKMT2AALDH1A1MAPTADORA3
SCHEMBL2530595 0.82 LMNA (0.46) HPGDKMT2AALDH1A1LMNAMAPT
SCHEMBL27888442 0.82 KMT2A (0.39) HPGDKMT2AALDH1A1LMNACACNA1C
SCHEMBL2536016 0.79 MEN1 (0.39) KMT2AALDH1A1LMNACACNA1CCYP1A2
SCHEMBL2533418 0.75 ALDH1A1 (0.44) HPGDKMT2AALDH1A1LMNACACNA1C
SCHEMBL2534316 0.73 RAB9A (0.46) HPGDKMT2AALDH1A1LMNAMAPT
SCHEMBL2533964 0.70 AR (0.35) HPGDKMT2AALDH1A1MAPTKDM4E
Nifedipine SCHEMBL1172946 0.66 ADORA3 (1.00) HPGDKMT2AALDH1A1LMNACACNA1C
Nifedipine SCHEMBL29349595 0.66 ADORA3 (1.00) HPGDKMT2AALDH1A1LMNACACNA1C
SCHEMBL3760266 0.66 ALDH1A1 (0.64) HPGDKMT2AALDH1A1LMNACACNA1C

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 7 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
EP-2558449-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2013-02-20 — — EP 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
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

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 HPGD 1640/4885KMT2A 661/4885ALDH1A1 552/4885
US-20130023518-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES QDPR, PRMT3, PRMT1 HPGD 1640/4885KMT2A 661/4885ALDH1A1 552/4885

“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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