SCHEMBL1329276

SCHEMBL1329276

CCc1cccc(CC)c1-c1ccc(CN2CCC(C)CC(C)(C)C2)c(C)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.39
ALDH1A1 P00352 4/20 0.33
CD274 Q9NZQ7 4/20 0.32
PDCD1LG2 Q9BQ51 3/20 0.32
OPRM1 P35372 1/20 0.32
C5AR1 P21730 3/20 0.32
MEN1 O00255 1/20 0.31
MITF O75030 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NAMPT P43490 1/20 0.31
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
PDCD1 Q15116 1/20 0.30
DRD2 P14416 1/20 0.30
DRD4 P21917 1/20 0.30
DRD3 P35462 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
SCHEMBL2141112 0.85 C5AR1 (0.37) ACHEALDH1A1CD274PDCD1LG2C5AR1
SCHEMBL1329566 0.82 C5AR1 (0.39) C5AR1
SCHEMBL1328723 0.80 C5AR1 (0.38) C5AR1KDM4ELMNA
SCHEMBL1328353 0.77 C5AR1 (0.33) C5AR1
SCHEMBL2141029 0.76 ACHE (0.32) ACHEMEN1KMT2A
SCHEMBL1327959 0.75 DRD2 (0.45) ALDH1A1CD274PDCD1LG2KDM4EPDCD1
SCHEMBL1327505 0.70 CD44 (0.46) ALDH1A1C5AR1MEN1KMT2ATDP1
SCHEMBL1327864 0.68 DRD2 (0.43) ALDH1A1CD274PDCD1LG2C5AR1MEN1
SCHEMBL1329361 0.67 MEN1 (0.48) C5AR1MEN1KMT2AKDM4EDRD2
SCHEMBL1328700 0.67 C5AR1 (0.39) C5AR1KDM4ERAB9A

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-20110281837-A1 3-SUBSTITUTED-6-ARYL PYRIDINES HUTCHINSON ALAN J (US) 2011-11-17 US disclosed
US-7342115-B2 Binding antagonist and arylpyridine for antiinflammatory agents, cardiovascular disorders and antagonist or agonist and for immunology NEUROGEN CORPORATION (US) 2008-03-11 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-20110281837-A1 3-SUBSTITUTED-6-ARYL PYRIDINES C3AR1, C5AR1, C5AR2 ACHE 2578/4885ALDH1A1 1966/4885CD274 1147/4885

“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.