SCHEMBL2531741

SCHEMBL2531741

COC(=O)c1cccc2c1NC(c1cccc(C(=O)NC3CCN(C)C3)c1)C(C)(C)C2

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.40
PTK2 Q05397 3/20 0.40
PDGFRB P09619 2/20 0.38
FGFR1 P11362 2/20 0.38
PDGFRA P16234 2/20 0.38
FLT1 P17948 2/20 0.38
FGFR3 P22607 2/20 0.38
KDR P35968 2/20 0.38
ROCK1 Q13464 2/20 0.37
KDM5A P29375 1/20 0.37
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
MCHR1 Q99705 1/20 0.36
KDM1A O60341 1/20 0.36
SLC6A5 Q9Y345 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
SCHEMBL2534279 0.91 KDM1A (0.38) ROCK2KDM5AKDM1A
SCHEMBL15509924 0.86 ROCK2 (0.40) ROCK2PTK2ROCK1KDM5AKDM1A
SCHEMBL2530924 0.85 CRBN (0.41) ROCK2PTK2PDGFRBFGFR1PDGFRA
SCHEMBL2533630 0.82 KMO (0.37) TSHR
SCHEMBL2530114 0.81 CRBN (0.43) ROCK2KDM5AKDM1ASLC6A5
SCHEMBL2531333 0.79 KDM5A (0.44) KDM5AKDM1ASLC6A5
SCHEMBL2536783 0.79 HDAC8 (0.39) ROCK2ROCK1KDM5AALDH1A1
SCHEMBL2534114 0.75 SMYD3 (0.42) ROCK2KDM1A
SCHEMBL2531549 0.74 RAB9A (0.45) ALDH1A1TSHR
SCHEMBL2532915 0.74 PARP1 (0.40) ROCK2ROCK1KDM1A

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 ROCK2 1121/4885PTK2 4453/4885PDGFRB 2671/4885
US-20130023518-A1 NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES QDPR, PRMT3, PRMT1 ROCK2 1121/4885PTK2 4453/4885PDGFRB 2671/4885

“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.