SCHEMBL13097064

SCHEMBL13097064

CCC1(NC(=O)Cc2cc(-n3cc(Cl)cn3)ccc2C)CCCCC1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 7/20 0.34
HPGD P15428 1/20 0.33
ANO1 Q5XXA6 2/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
PTGER4 P35408 1/20 0.32
SMO Q99835 1/20 0.32
RIPK2 O43353 1/20 0.32
CYP3A4 P08684 1/20 0.32
CNR2 P34972 1/20 0.32
RXRA P19793 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 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
SCHEMBL2975725 0.85 DRD2 (0.36) P2RX7HPGDDRD2DRD4RIPK2
SCHEMBL13097289 0.78 DRD2 (0.32) P2RX7DRD2DRD4RIPK2LMNA
SCHEMBL13097286 0.77 DRD2 (0.32) P2RX7DRD2DRD4RIPK2LMNA
SCHEMBL13097351 0.77 DRD2 (0.39) P2RX7HPGDDRD2DRD4RIPK2
SCHEMBL13097216 0.77 RIPK2 (0.33) P2RX7ANO1RIPK2
SCHEMBL13097332 0.76 P2RX7 (0.38) P2RX7HPGDDRD2DRD4CYP3A4
SCHEMBL13097299 0.69 SLC22A12 (0.33) RIPK2LMNAMAPTSMN1; SMN2
SCHEMBL13097295 0.69 LMNA (0.32) P2RX7DRD2DRD4RIPK2CYP3A4
SCHEMBL12748445 0.68 CTSL (0.37) ANO1PTGER4CNR2LMNA
SCHEMBL811961 0.68 WNT3A (0.43) CNR2RXRA

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-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

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-20100267964-A1 N-HETEROCYCLYLPHENYL-SUBSTITUTED CYCLIC KETOENOLS CYP17A1, CCNY, CCNE2 P2RX7 2789/4885HPGD 116/4885ANO1 3216/4885

“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.