SCHEMBL4081699

SCHEMBL4081699

CC(C)CCN(Cc1ccc(Br)c(F)c1)C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.45
AAK1 Q2M2I8 4/20 0.40
LPAR1 Q92633 2/20 0.39
LPAR5 Q9H1C0 2/20 0.39
F2 P00734 2/20 0.36
F10 P00742 2/20 0.36
F7 P08709 2/20 0.36
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
RIPK1 Q13546 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MITF O75030 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL4071560 0.87 SSTR4 (0.41) SSTR4AAK1LPAR1LPAR5F2
SCHEMBL4967466 0.85 SSTR4 (0.41) SSTR4AAK1LPAR1LPAR5F2
SCHEMBL27786375 0.83 LPAR1 (0.46) LPAR1LPAR5F2F10F7
SCHEMBL13638403 0.81 LPAR1 (0.40) LPAR1LPAR5F2F10F7
SCHEMBL4075808 0.80 SSTR4 (0.42) SSTR4AAK1LPAR1LPAR5RIPK1
SCHEMBL16793737 0.79 SSTR4 (0.40) SSTR4AAK1HDAC3HDAC1HDAC2
SCHEMBL18416938 0.79 SSTR4 (0.40) SSTR4RIPK1CYP1A2CYP2D6CYP2C9
SCHEMBL12156841 0.79 RIPK1 (0.50) SSTR4HDAC3HDAC1HDAC2NCOR2
SCHEMBL28466070 0.78 HDAC1 (0.51) LPAR1LPAR5HDAC3HDAC1HDAC2
SCHEMBL4493480 0.77 F2 (0.39) LPAR1LPAR5F2F10F7

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 6 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
EP-2084127-A1 DIARYL, DIPYRIDINYL AND ARYL-PYRIDINYL DERIVATIVES AND USES THEREOF Pfizer Products Inc. (US) 2009-08-05 EP 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
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 SSTR4 1897/4885AAK1 1450/4885LPAR1 1517/4885

“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.