SCHEMBL2534342

SCHEMBL2534342

COC(=O)c1ccc2c(c1)CC(C)(C)C(c1cccc(NC(=O)CCc3ccccc3)c1)N2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.57
HPGD P15428 1/20 0.57
MAPT P10636 4/20 0.48
RAB9A P51151 2/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
GAA P10253 3/20 0.45
LMNA P02545 1/20 0.44
ALOX15 P16050 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.40
BRD4 O60885 1/20 0.40
KDM4E B2RXH2 1/20 0.39
SENP1 Q9P0U3 1/20 0.39

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
SCHEMBL2530664 0.92 GAA (0.47) ALDH1A1HPGDMAPTRAB9AGAA
SCHEMBL2531675 0.91 RAB9A (0.48) ALDH1A1HPGDMAPTRAB9AMEN1
SCHEMBL15509472 0.86 RAB9A (0.46) ALDH1A1HPGDMAPTRAB9AGAA
SCHEMBL2568247 0.86 HTR7 (0.42) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL28803643 0.86 RAB9A (0.46) ALDH1A1HPGDMAPTRAB9ASMN1; SMN2
SCHEMBL2531679 0.86 ALDH1A1 (0.39) ALDH1A1HPGDMAPTRAB9AMEN1
SCHEMBL2537927 0.84 MAPT (0.47) ALDH1A1HPGDMAPTRAB9AMEN1
SCHEMBL2530890 0.83 KMT2A (0.43) ALDH1A1HPGDMAPTRAB9AMEN1
SCHEMBL2534932 0.82 RAB9A (0.55) ALDH1A1HPGDMAPTRAB9AMEN1
SCHEMBL2532336 0.82 RAB9A (0.46) ALDH1A1HPGDMAPTRAB9AKMT2A

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 5 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
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
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 ALDH1A1 552/4885HPGD 1640/4885MAPT 3094/4885
US-20130023518-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES QDPR, PRMT3, PRMT1 ALDH1A1 552/4885HPGD 1640/4885MAPT 3094/4885

“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.