SCHEMBL9900946

SCHEMBL9900946

O=C(O)c1cc(Cl)cnc1N1CCC(Oc2ccc(C(F)(F)F)cc2)C1.[LiH]

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 11/20 0.62
LPL P06858 4/20 0.62
LIPC P11150 4/20 0.58
ACACB O00763 4/20 0.51
CYP2C9 P11712 3/20 0.48
CYP2C19 P33261 3/20 0.48
MAPT P10636 2/20 0.48
KDM4E B2RXH2 2/20 0.48
GAA P10253 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SCN10A Q9Y5Y9 1/20 0.46
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL9923385 0.99 LIPG (0.64) LIPGLPLLIPCACACBCYP2C9
SCHEMBL9900401 0.91 LIPG (0.56) LIPGLPLLIPCACACBCYP2C9
Lithium Ion SCHEMBL9900945 0.89 LIPG (0.54) LIPGLPLLIPCACACBCYP2C9
SCHEMBL9900384 0.89 ACACB (0.54) LIPGLPLLIPCACACBCYP2C9
SCHEMBL9900306 0.89 LIPG (0.58) LIPGLPLLIPCACACBCYP2C9
SCHEMBL9901070 0.88 LIPG (0.57) LIPGLPLLIPCACACB
SCHEMBL9900833 0.87 LIPG (0.49) LIPGLPLLIPCACACBCYP2C9
SCHEMBL15297715 0.85 LIPG (0.49) LIPGLPLLIPCACACB
SCHEMBL9900432 0.83 ACACB (0.62) ACACB
SCHEMBL9900109 0.83 PTGER4 (0.49) LIPGLPLLIPCACACBCYP2C9

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2649061-B1 PYRIDINE AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS Rottapharm Biotech Srl (IT) 2015-05-13 EP disclosed
US-8828987-B2 Pyridine amide derivatives as EP4 receptor antagonists ROTTAPHARM BIOTECH S.R.L. (IT) 2014-09-09 US disclosed
EP-2649061-A1 PYRIDINE AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS Rottapharm S.p.A. (IT) 2013-10-16 EP disclosed
US-20130261100-A1 PYRIDINE AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS ROTTAPHARM BIOTECH S.R.L. (IT) 2013-10-03 US disclosed
WO-2012076063-A1 PYRIDINE AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS ROTTAPHARM S.P.A. (IT) 2012-06-14 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-20130261100-A1 PYRIDINE AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS PTGER4, PTGER1, CNR1 LIPG 4136/4885LPL 4636/4885LIPC 4476/4885

“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.