SCHEMBL2536016

SCHEMBL2536016

COC(=O)c1ccc2c(c1)C(O)C(C)(C)C(c1cc(Cl)cc([N+](=O)[O-])c1)N2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.39
▸ KMT2A Q03164 7/20 0.39
▸ RECQL P46063 1/20 0.39
▸ POLB P06746 4/20 0.36
▸ CACNA1C Q13936 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ MAPT P10636 5/20 0.35
▸ HIF1A Q16665 3/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ GPR55 Q9Y2T6 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ THPO P40225 1/20 0.35
▸ VCAM1 P19320 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
SCHEMBL2536265 0.87 MEN1 (0.46) MEN1KMT2APOLBMAPTMAPK1
SCHEMBL2530595 0.84 LMNA (0.46) MEN1KMT2ARECQLPOLBMAPT
SCHEMBL27905169 0.83 NR1H4 (0.32) MEN1KMT2APOLBSMN1; SMN2MAPT
SCHEMBL2527478 0.81 MEN1 (0.39) MEN1KMT2ARECQLPOLBCACNA1C
SCHEMBL2530827 0.79 HPGD (0.48) MEN1KMT2APOLBCACNA1CSMN1; SMN2
SCHEMBL2534312 0.75 AR (0.40) MEN1KMT2ARECQLPOLBMAPT
SCHEMBL2533418 0.75 ALDH1A1 (0.44) MEN1KMT2APOLBCACNA1CSMN1; SMN2
SCHEMBL2532177 0.74 HPN (0.53) MEN1KMT2APOLBCACNA1CMAPT
SCHEMBL2533326 0.73 AR (0.46) MEN1KMT2ARECQLPOLBSMN1; SMN2
SCHEMBL2535557 0.73 CACNA1C (0.45) MEN1KMT2APOLBCACNA1CMAPT

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 MEN1 353/4885KMT2A 661/4885RECQL 53/4885
US-20130023518-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES QDPR, PRMT3, PRMT1 MEN1 353/4885KMT2A 661/4885RECQL 53/4885

“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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