SCHEMBL13633129

SCHEMBL13633129

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 2/20 0.34
LPAR5 Q9H1C0 2/20 0.34
AKR1C3 P42330 2/20 0.34
AKR1C2 P52895 2/20 0.34
POLB P06746 2/20 0.33
F2 P00734 2/20 0.33
F10 P00742 2/20 0.33
F7 P08709 2/20 0.33
FAAH O00519 3/20 0.33
ALDH1A1 P00352 3/20 0.32
NPC1 O15118 1/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC3 O15379 1/20 0.31
HDAC2 Q92769 1/20 0.31
NCOR2 Q9Y618 1/20 0.31
APP P05067 1/20 0.31
FNTA P49354 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
SCHEMBL13638254 0.87 FAAH (0.36) LPAR1LPAR5AKR1C3AKR1C2FAAH
SCHEMBL4493480 0.86 F2 (0.39) LPAR1LPAR5AKR1C3AKR1C2F2
SCHEMBL4480567 0.82 LPAR1 (0.37) LPAR1LPAR5POLBF2F10
SCHEMBL4480569 0.82 LPAR1 (0.37) LPAR1LPAR5POLBF2F10
SCHEMBL4073264 0.80 PTGDR2 (0.38) LPAR1LPAR5
SCHEMBL4081699 0.73 SSTR4 (0.45) LPAR1LPAR5F2F10F7
SCHEMBL13638253 0.72 FAAH (0.39) LPAR1LPAR5AKR1C3AKR1C2F2
SCHEMBL14217477 0.70 AKR1C3 (0.42) LPAR1LPAR5AKR1C3AKR1C2FAAH
SCHEMBL13638227 0.68 RARB (0.40) LPAR1LPAR5
SCHEMBL28466070 0.68 HDAC1 (0.51) LPAR1LPAR5HDAC1HDAC3HDAC2

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-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

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 1925/4885AKR1C3 1566/4885

“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.