SCHEMBL2537355

SCHEMBL2537355

COC(=O)c1cccc2c1NC(c1cccc(C(=O)OCc3ccccc3)c1)C(C)(C)C2O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.46
▸ BRD4 O60885 1/20 0.42
▸ CREBBP Q92793 1/20 0.42
▸ TDP1 Q9NUW8 2/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ ALDH1A1 P00352 5/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ HPGD P15428 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ PDE1C Q14123 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ HTT P42858 2/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38

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
SCHEMBL27905298 0.85 RAB9A (0.43) RAB9ATDP1SLC6A2SLC6A3KMT2A
SCHEMBL2534316 0.85 RAB9A (0.46) RAB9ATDP1SLC6A2SLC6A3KMT2A
SCHEMBL2531549 0.82 RAB9A (0.45) RAB9ABRD4CREBBPTDP1SLC6A2
SCHEMBL2531304 0.79 RAB9A (0.43) RAB9ATDP1SLC6A2SLC6A3KMT2A
SCHEMBL28800742 0.78 RAB9A (0.42) RAB9ATDP1SLC6A2SLC6A3KMT2A
SCHEMBL2533326 0.73 AR (0.46) RAB9AKMT2ASMN1; SMN2NPC1ALDH1A1
SCHEMBL2532336 0.72 RAB9A (0.46) RAB9ATDP1SLC6A2SLC6A3KMT2A
Benzyl Benzoate SCHEMBL6669177 0.71 TDP1 (0.74) RAB9ATDP1SLC6A2SLC6A3KMT2A
SCHEMBL27337757 0.71 KMT2A (0.69) RAB9ATDP1SLC6A2SLC6A3KMT2A
SCHEMBL27905185 0.69 RAB9A (0.43) RAB9ABRD4CREBBPTDP1SLC6A2

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 RAB9A 364/4885BRD4 63/4885CREBBP 2642/4885
US-20130023518-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES QDPR, PRMT3, PRMT1 RAB9A 364/4885BRD4 63/4885CREBBP 2642/4885

“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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