SCHEMBL2966536

SCHEMBL2966536

CCOC(=O)N1CCCCN1C(=O)C(C)c1ccc(-n2cc(Cl)cn2)cc1C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
ALDH1A1 P00352 4/20 0.34
NPC1 O15118 4/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 2/20 0.34
HPGD P15428 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
GCGR P47871 1/20 0.33
RAB9A P51151 3/20 0.32
KDM4E B2RXH2 2/20 0.32
CTSL P07711 2/20 0.32
CTSB P07858 2/20 0.32
CTSK P43235 2/20 0.32
HSD17B10 Q99714 1/20 0.32
KMT2A Q03164 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
SCHEMBL2928582 0.77 DRD2 (0.41) DRD2DRD4ALDH1A1NPC1MAPT
SCHEMBL3169404 0.76 MEN1 (0.36) ALDH1A1LMNASMN1; SMN2HTTCTSL
SCHEMBL13097319 0.74 DRD2 (0.39) DRD2DRD4ALDH1A1NPC1MAPT
SCHEMBL11495961 0.66 NPC1 (0.40) DRD2DRD4ALDH1A1NPC1MAPT
SCHEMBL11486401 0.65 DRD2 (0.51) DRD2DRD4ALDH1A1NPC1MAPT
SCHEMBL11493666 0.65 DRD2 (0.48) DRD2DRD4ALDH1A1NPC1MAPT
SCHEMBL13097079 0.64 DRD2 (0.36) DRD2DRD4ALDH1A1NPC1MAPT
SCHEMBL11486255 0.64 NPC1 (0.43) ALDH1A1NPC1MAPTLMNAHPGD
SCHEMBL13097308 0.64 DRD2 (0.33) DRD2DRD4ALDH1A1MAPTHPGD
SCHEMBL11495559 0.63 PSEN1 (0.42) DRD2DRD4ALDH1A1LMNASMN1; SMN2

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
US-20100267964-A1 N-HETEROCYCLYLPHENYL-SUBSTITUTED CYCLIC KETOENOLS FISCHER REINER 2010-10-21 US disclosed
US-7776791-B2 N-heterocyclyl phenyl-substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2010-08-17 US disclosed
US-20060166829-A1 N-Heterocycl phenyl-substituted cyclic ketoenols BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2006-07-27 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-20100267964-A1 N-HETEROCYCLYLPHENYL-SUBSTITUTED CYCLIC KETOENOLS CYP17A1, CCNY, CCNE2 DRD2 4492/4885DRD4 3862/4885ALDH1A1 2486/4885
US-20060166829-A1 N-Heterocycl phenyl-substituted cyclic ketoenols WEE1, KCNE1, CCNE1 DRD2 2149/4885DRD4 1511/4885ALDH1A1 2766/4885

“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.