SCHEMBL13638171

SCHEMBL13638171

CCCCOC(=O)N(CCC(C)C)Cc1ccc(-c2ccc(N)cc2)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.39
LMNA P02545 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
PDE4D Q08499 1/20 0.38
FSHR P23945 1/20 0.37
CHRM2 P08172 1/20 0.36
HTR1A P08908 1/20 0.36
GAA P10253 1/20 0.36
CYP2D6 P10635 1/20 0.36
DRD3 P35462 1/20 0.36
SCN1A P35498 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KCNH2 Q12809 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36
LPAR1 Q92633 1/20 0.36

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
SCHEMBL13638404 0.87 MAPT (0.38) RARBLMNAFSHRKCNH2AGTR2
SCHEMBL13638168 0.87 RARB (0.44) RARBFSHRLPAR1LPAR5LTB4R2
SCHEMBL4257993 0.83 GRM2 (0.36) RARBLPAR1LPAR5
SCHEMBL13638227 0.80 RARB (0.40) RARBFSHRLPAR1LPAR5LTB4R2
SCHEMBL16682367 0.77 LMNA (0.56) LMNACYP1A2CYP3A4CYP2C9TSHR
SCHEMBL14217477 0.77 AKR1C3 (0.42) RARBLPAR1LPAR5AGTR2
SCHEMBL13638403 0.75 LPAR1 (0.40) CYP1A2CYP2C9CYP2C19FSHRCYP2D6
SCHEMBL13638253 0.75 FAAH (0.39) RARBLPAR1LPAR5
SCHEMBL16682333 0.74 LMNA (0.50) LMNACYP1A2CYP3A4CYP2C9TSHR
SCHEMBL13638283 0.73 FAAH (0.39) LPAR1LPAR5AGTR2

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-7615651-B2 Diaryl, dipyridinyl and aryl-pyridinyl derivatives and uses thereof PFIZER INC. (US) 2009-11-10 US disclosed
US-20080167371-A1 Diaryl, Dipyridinyl and Aryl-Pyridinyl Derivatives and Uses Thereof PFIZER INC. 2008-07-10 US disclosed
WO-2008059335-A1 DIARYL, DIPYRIDINYL AND ARYL-PYRIDINYL DERIVATIVES AND USES THEREOF PFIZER PRODUCTS INC. (US) 2008-05-22 WO 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-20080167371-A1 Diaryl, Dipyridinyl and Aryl-Pyridinyl Derivatives and Uses Thereof OPRD1, OPRK1, OPRL1 RARB 264/4885LMNA 3030/4885CYP1A2 380/4885

“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.