SCHEMBL2531758

SCHEMBL2531758

COC(=O)c1ccc2c(c1)CC(C)(C)C(c1cccc(C(=O)NC3CN(C(=O)OC(C)(C)C)C3)c1)N2

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 8/20 0.46
IGF1R P08069 2/20 0.38
ANO1 Q5XXA6 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
PARP1 P09874 2/20 0.37
HDAC4 P56524 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
GABRA5 P31644 1/20 0.36
FPR3 P25089 1/20 0.36
FPR2 P25090 1/20 0.36
KDM5A P29375 1/20 0.36
CRBN Q96SW2 1/20 0.35

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
SCHEMBL2531920 0.94 USP30 (0.49) USP30IGF1RANO1HDAC8PARP1
SCHEMBL2536783 0.87 HDAC8 (0.39) IGF1RHDAC8PARP1KDM5ACRBN
SCHEMBL15509674 0.87 USP30 (0.45) USP30IGF1RANO1PARP1GABRA5
SCHEMBL2534114 0.85 SMYD3 (0.42) HDAC8CRBN
SCHEMBL2532311 0.84 KDM1A (0.43) HDAC8CRBN
SCHEMBL2530924 0.83 CRBN (0.41) HDAC8KDM5ACRBN
SCHEMBL2533058 0.81 MEN1 (0.40) HDAC8HDAC6CRBN
SCHEMBL2533556 0.81 ALDH1A1 (0.41)
SCHEMBL2534638 0.80 KDM1A (0.43) HDAC8
SCHEMBL2532915 0.79 PARP1 (0.40) HDAC8PARP1CRBN

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 USP30 4252/4885IGF1R 3869/4885ANO1 2395/4885
US-20130023518-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES QDPR, PRMT3, PRMT1 USP30 4252/4885IGF1R 3869/4885ANO1 2395/4885

“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.