SCHEMBL2535722

SCHEMBL2535722

CCN(C(=O)c1cccc(C2Nc3ccc(C(=O)O)cc3CC2(C)C)c1)N(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.33
KDM1A O60341 2/20 0.33
MAOA P21397 2/20 0.33
MAOB P27338 1/20 0.33
POLB P06746 4/20 0.32
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
GAA P10253 2/20 0.32
F11 P03951 3/20 0.32
NR4A1 P22736 1/20 0.32
LMNA P02545 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
MAPT P10636 2/20 0.32
NSD2 O96028 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ITGB3 P05106 3/20 0.32
ITGA2B P08514 3/20 0.32

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
SCHEMBL12219890 0.87 KMO (0.43) KMOPOLBMEN1KMT2AGAA
SCHEMBL2530850 0.81 PARP1 (0.41) KMOMEN1KMT2AF11NR4A1
SCHEMBL2530126 0.81 ALDH1A1 (0.40) KMOPOLBMEN1KMT2AGAA
SCHEMBL2535624 0.80 CFB (0.34) KMOF11NR4A1
SCHEMBL2532764 0.80 F10 (0.41) KMOPOLBGAAF11NR4A1
SCHEMBL2533556 0.80 ALDH1A1 (0.41) KMOMEN1KMT2AGAAF11
SCHEMBL2532170 0.79 F11 (0.38) KMOPOLBMEN1KMT2AGAA
SCHEMBL2527714 0.79 SRD5A1 (0.41) KMOMEN1KMT2AF11NR4A1
SCHEMBL2530156 0.79 CSNK2A1 (0.42) LMNAMAPTALDH1A1ITGB3ITGA2B
SCHEMBL2529341 0.79 CA12 (0.39) MAOAPOLBMAPTL3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 KMO 2473/4885KDM1A 413/4885MAOA 2769/4885

“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.