SCHEMBL4014441

SCHEMBL4014441

O=C(NC1CCN(c2ncnc3ccccc23)CC1)c1c(F)cccc1I

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
PAK1 Q13153 10/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
HRH1 P35367 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
AKT1 P31749 1/20 0.42
AKT2 P31751 1/20 0.42
AKT3 Q9Y243 1/20 0.42
PTK2 Q05397 1/20 0.42
HRH4 Q9H3N8 1/20 0.42
MALT1 Q9UDY8 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL4017662 0.95 SUV39H1 (0.48) SMN1; SMN2LMNAHTTPAK1L3MBTL1
SCHEMBL4019316 0.85 L3MBTL1 (0.46) L3MBTL1
SCHEMBL4017668 0.84 L3MBTL1 (0.45) PAK1L3MBTL1HRH4MALT1
SCHEMBL4017687 0.81 L3MBTL1 (0.42) L3MBTL1AKT2
SCHEMBL4024042 0.76 PAK1 (0.71) SMN1; SMN2LMNAHTTPAK1HRH1
SCHEMBL4023811 0.74 PAK1 (0.60) SMN1; SMN2LMNAHTTPAK1L3MBTL1
SCHEMBL4022666 0.74 PAK1 (0.60) SMN1; SMN2LMNAHTTPAK1L3MBTL1
SCHEMBL4021867 0.74 MAPT (0.58) SMN1; SMN2LMNAHTTPAK1HRH1
SCHEMBL4018090 0.74 PDGFRB (0.60) SMN1; SMN2LMNAHTTPAK1
SCHEMBL4024034 0.74 PAK1 (0.55) PAK1

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-20080125463-A1 N-(1-hetarylpiperidin-4-yl)(het)arylamides as EP2 receptor modulators BAYER SCHERING PHARMA AG (DE) 2008-05-29 US claimed
EP-1903038-A1 N-(1-hetaryl-piperidin-4-yl)-(het)arylamide as EP2 receptor modulators Bayer Schering Pharma Aktiengesellschaft (DE) 2008-03-26 EP claimed
EP-2066654-A1 N-(1-HETARYLPIPERIDIN-4-YL)(HET)ARYLAMIDES AS EP2 RECEPTOR MODULATORS Bayer Schering Pharma AG (DE) 2009-06-10 EP disclosed
US-20080125463-A1 N-(1-hetarylpiperidin-4-yl)(het)arylamides as EP2 receptor modulators BAYER SCHERING PHARMA AG (DE) 2008-05-29 US disclosed
EP-1903038-A1 N-(1-hetaryl-piperidin-4-yl)-(het)arylamide as EP2 receptor modulators Bayer Schering Pharma Aktiengesellschaft (DE) 2008-03-26 EP disclosed
WO-2008028691-A1 N-(1-HETARYLPIPERIDIN-4-YL)(HET)ARYLAMIDES AS EP2 RECEPTOR MODULATORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-03-13 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-20080125463-A1 N-(1-hetarylpiperidin-4-yl)(het)arylamides as EP2 receptor modulators PTGER2, PTGER1, PTGDR2 SMN1; SMN2 3222/4885LMNA 2132/4885HTT 1251/4885

“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.