SCHEMBL4493480

SCHEMBL4493480

CC(C)CCN(Cc1ccc(-c2cccc(C(N)=O)c2)c(F)c1)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.39
F10 P00742 2/20 0.39
F7 P08709 2/20 0.39
AKR1C3 P42330 3/20 0.37
AKR1C2 P52895 3/20 0.37
LPAR1 Q92633 2/20 0.37
LPAR5 Q9H1C0 2/20 0.37
GRM2 Q14416 1/20 0.37
HDAC1 Q13547 3/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
SHMT1 P34896 1/20 0.35
PARP1 P09874 2/20 0.34
FAAH O00519 1/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
MGLL Q99685 1/20 0.34
MAP2K4 P45985 1/20 0.34
ERN1 O75460 1/20 0.34

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
SCHEMBL13633129 0.86 LPAR1 (0.34) F2F10F7AKR1C3AKR1C2
SCHEMBL13638253 0.85 FAAH (0.39) F2F10F7AKR1C3AKR1C2
SCHEMBL4073264 0.85 PTGDR2 (0.38) LPAR1LPAR5
SCHEMBL4488726 0.81 F2 (0.41) F2F10F7LPAR1LPAR5
SCHEMBL4072874 0.79 LPAR1 (0.41) F2F10F7LPAR1LPAR5
SCHEMBL4081699 0.77 SSTR4 (0.45) F2F10F7LPAR1LPAR5
SCHEMBL4486715 0.77 SSTR4 (0.33) F2F10F7AKR1C3AKR1C2
SCHEMBL27605380 0.77 GRIN2D (0.49) HDAC1PARP1HDAC3HDAC2NCOR2
SCHEMBL14217477 0.74 AKR1C3 (0.42) AKR1C3AKR1C2LPAR1LPAR5FAAH
SCHEMBL13633142 0.74 OPRM1 (0.45) AKR1C3AKR1C2HDAC1SHMT1PARP1

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 4 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-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
US-20080167371-A1 Diaryl, Dipyridinyl and Aryl-Pyridinyl Derivatives and Uses Thereof PFIZER INC. 2008-07-10 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-20080167371-A1 Diaryl, Dipyridinyl and Aryl-Pyridinyl Derivatives and Uses Thereof OPRD1, OPRK1, OPRL1 F2 2963/4885F10 3305/4885F7 4225/4885

“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.