SCHEMBL2535624

SCHEMBL2535624

CCN1CCCC1N(C)C(=O)c1cccc(C2Nc3ccc(C(=O)O)cc3CC2(C)C)c1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CFB P00751 1/20 0.34
MYC P01106 1/20 0.33
DRD3 P35462 2/20 0.33
KMO O15229 1/20 0.33
ROCK2 O75116 2/20 0.33
PRKG1 Q13976 4/20 0.32
CCR5 P51681 1/20 0.31
HSD11B1 P28845 1/20 0.31
OTUD7B Q6GQQ9 2/20 0.31
F11 P03951 2/20 0.30
HRH3 Q9Y5N1 1/20 0.30
NR4A1 P22736 1/20 0.30

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
SCHEMBL2535580 0.91 ROCK2 (0.36) DRD3ROCK2HSD11B1F11
SCHEMBL15510305 0.89 ALDH1A2 (0.32) DRD3ROCK2CCR5
SCHEMBL2535626 0.81 HSD17B10 (0.46) ROCK2
SCHEMBL12219890 0.80 KMO (0.43) KMOF11NR4A1
SCHEMBL2535722 0.80 KMO (0.33) KMOF11NR4A1
SCHEMBL2527915 0.77 L3MBTL3 (0.45) MYCKMO
SCHEMBL2527928 0.76 L3MBTL3 (0.44) MYCKMO
SCHEMBL12219919 0.76 KMO (0.57) MYCDRD3KMOF11NR4A1
SCHEMBL2530850 0.75 PARP1 (0.41) KMOF11NR4A1
SCHEMBL12288825 0.75 CREBBP (0.35) KMOF11NR4A1

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 12 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 claimed
US-8586747-B2 3,3-dimethyl tetrahydroquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2013-11-19 US claimed
US-20130023518-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES Hoffmann-La Roche Inc (US) 2013-01-24 US claimed
US-8344137-B2 3,3-dimethyl tetrahydroquinoline derivatives HOFFMAN-LA ROCHE INC. (US) 2013-01-01 US claimed
US-20110257151-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES HUA MEDICINE (KY) 2011-10-20 US claimed
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 CFB 4641/4885MYC 3275/4885DRD3 82/4885
US-20130023518-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES QDPR, PRMT3, PRMT1 CFB 4641/4885MYC 3275/4885DRD3 82/4885

“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.