SCHEMBL14020880

SCHEMBL14020880

CCc1ccc2c(c1)[C@@H](C)[C@@H](CC)[C@H](c1ccccc1)N2

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 12/20 0.54
▸ GAA P10253 2/20 0.40
▸ AR P10275 1/20 0.36
▸ SLC6A2 P23975 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2A6 P11509 1/20 0.33
▸ MAPK1 P28482 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 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
SCHEMBL13004938 0.90 KIF11 (0.52) KIF11GAAARSLC6A2SLC6A4
SCHEMBL14020845 0.75 KIF11 (0.51) KIF11ARKDM4ELMNAHTT
SCHEMBL12751149 0.73 KIF11 (0.69) KIF11GAA
SCHEMBL10101303 0.73 KIF11 (0.69) KIF11GAAAR
SCHEMBL14019804 0.73 KIF11 (0.46) KIF11GAAARKDM4EMEN1
SCHEMBL12751147 0.73 KIF11 (0.69) KIF11GAA
SCHEMBL13831889 0.73 KIF11 (0.40) KIF11GAAARKDM4ELMNA
SCHEMBL10102694 0.72 KIF11 (0.87) KIF11GAA
SCHEMBL10101416 0.72 AR (0.67) KIF11GAAARKDM4EMEN1
SCHEMBL23949460 0.71 HNF4A (0.39) GAAARKDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1761515-B1 2-(HETERO-)ARYL SUBSTITUTED TETRAHYDROQUINOLINE DERIVATIVES MERCK PATENT GMBH (DE) 2008-11-05 — — EP disclosed
US-20070203167-A1 2-(Hetero)-aryl substituted tetrahydrochinoline MERCK PATENT GMBH (DE) 2007-08-30 — — US disclosed
US-20070203167-A1 2-(Hetero)-aryl substituted tetrahydrochinoline MERCK PATENT GMBH (DE) 2007-08-30 — — 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-20070203167-A1 2-(Hetero)-aryl substituted tetrahydrochinoline NCOR1, CCNT2, NCOR2 KIF11 4054/4885GAA 4282/4885AR 285/4885

“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.

Send feedback