SCHEMBL12844429

SCHEMBL12844429

CCC1CCC(O)(c2nccs2)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 1/20 0.44
NR3C1 P04150 1/20 0.35
CCR2 P41597 3/20 0.35
KCNH2 Q12809 1/20 0.35
CCRL2 O00421 4/20 0.34
IRAK4 Q9NWZ3 2/20 0.33
EPHX2 P34913 1/20 0.33
CNR2 P34972 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 1/20 0.31
FBP1 P09467 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
SCHEMBL21657083 0.80 OPRL1 (0.43) OPRL1NR3C1CCR2KCNH2CCRL2
Alcohol SCHEMBL6978627 0.79 OPRL1 (0.47) OPRL1NR3C1CCR2KCNH2IRAK4
SCHEMBL12776380 0.78 NPC1 (0.46) OPRL1NR3C1CCR2KCNH2CCRL2
SCHEMBL17148512 0.78 OPRL1 (0.47) OPRL1NR3C1CCR2KCNH2CCRL2
Alcohol SCHEMBL6978770 0.78 OPRL1 (0.46) OPRL1NR3C1CCR2KCNH2IRAK4
SCHEMBL15823795 0.76 SYK (0.44) OPRL1KDM4EALDH1A1GAASMN1; SMN2
SCHEMBL1356638 0.76 OPRL1 (0.53) OPRL1CCR2KCNH2CCRL2IRAK4
SCHEMBL2500932 0.75 OPRL1 (0.47) OPRL1CCR2KCNH2CCRL2IRAK4
SCHEMBL15826397 0.75 OPRL1 (0.47) OPRL1CCR2KCNH2CCRL2IRAK4
SCHEMBL15826398 0.75 OPRL1 (0.47) OPRL1CCR2KCNH2CCRL2IRAK4

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-7902373-B2 asthma; for treating prostaglandin D2 mediated diseases; e.g. 6-(3-fluorophenyl)-N-[1-(1-methyl-1H-tetrazol-5-yl)piperidin-4-yl]nicotinamide PFIZER INC (US) 2011-03-08 US disclosed
US-20080146569-A1 Nicotinamide Derivatives PFIZER INC. 2008-06-19 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-20080146569-A1 Nicotinamide Derivatives NNT, NAMPT, NADK OPRL1 2012/4885NR3C1 893/4885CCR2 1786/4885

“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.