SCHEMBL13638403

SCHEMBL13638403

CCCCOC(=O)N(CCC(C)C)Cc1ccc(Br)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 3/20 0.40
LPAR5 Q9H1C0 3/20 0.40
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ESR1 P03372 2/20 0.36
KDM4E B2RXH2 1/20 0.35
MITF O75030 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
F2 P00734 1/20 0.34
F10 P00742 1/20 0.34
F7 P08709 1/20 0.34
HCRTR2 O43614 1/20 0.34
SOAT1 P35610 1/20 0.33
HTR2A P28223 1/20 0.33
PKM P14618 1/20 0.33
FSHR P23945 1/20 0.33

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
SCHEMBL4081699 0.81 SSTR4 (0.45) LPAR1LPAR5CYP1A2CYP2D6CYP2C9
SCHEMBL14217477 0.81 AKR1C3 (0.42) LPAR1LPAR5
SCHEMBL27786375 0.81 LPAR1 (0.46) LPAR1LPAR5CYP1A2CYP2D6CYP2C9
SCHEMBL13638253 0.79 FAAH (0.39) LPAR1LPAR5F2F10F7
SCHEMBL13638283 0.79 FAAH (0.39) LPAR1LPAR5
SCHEMBL13633128 0.77 LPAR1 (0.42) LPAR1LPAR5KDM4EMITFALDH1A1
SCHEMBL13638171 0.75 RARB (0.39) LPAR1LPAR5CYP1A2CYP2D6CYP2C9
SCHEMBL13632839 0.75 LPAR1 (0.36) LPAR1LPAR5F2F10F7
SCHEMBL14252000 0.74 LPAR1 (0.41) LPAR1LPAR5KDM4EMITFALDH1A1
SCHEMBL13638254 0.74 FAAH (0.36) LPAR1LPAR5

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 LPAR1 1517/4885LPAR5 1925/4885CYP1A2 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.