SCHEMBL1327628

SCHEMBL1327628

CCCC1CCCCN1Cc1c(OC(C)C)cc(-c2c(CC)cccc2CC)nc1C.c1cc2ccc1-2

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 11/20 0.39
OPRK1 P41145 1/20 0.33
S1PR1 P21453 1/20 0.33
POLB P06746 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CD274 Q9NZQ7 1/20 0.33
GAA P10253 1/20 0.33
HSP90AA1 P07900 1/20 0.33
CRHBP P24387 1/20 0.32
CRHR2 Q13324 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
SCHEMBL1327727 0.88 C5AR1 (0.42) C5AR1OPRK1ALDH1A1
SCHEMBL1327626 0.87 C5AR1 (0.41) C5AR1OPRK1ALDH1A1CD274
SCHEMBL1327969 0.86 C5AR1 (0.41) C5AR1ALDH1A1CD274
SCHEMBL1328912 0.86 C5AR1 (0.40) C5AR1OPRK1ALDH1A1CD274
SCHEMBL1327366 0.83 C5AR1 (0.42) C5AR1POLBGAA
SCHEMBL1328344 0.82 C5AR1 (0.41) C5AR1GAA
SCHEMBL1328062 0.81 KDM4E (0.52) C5AR1POLBALDH1A1CD274SMN1; SMN2
SCHEMBL1328948 0.81 C5AR1 (0.42) C5AR1POLBALDH1A1CD274GAA
SCHEMBL2139080 0.80 MEN1 (0.43) C5AR1POLBALDH1A1CD274GAA
SCHEMBL2140205 0.80 MEN1 (0.43) C5AR1POLBALDH1A1CD274GAA

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 1 patent. 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

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 C5AR1 2/4885OPRK1 475/4885S1PR1 220/4885

“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.