SCHEMBL4024837

SCHEMBL4024837

O=C(NC1CCN(c2ccnc3cc(Cl)ccc23)CC1)c1ccccc1Br

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
IDE P14735 2/20 0.53
CLK1 P49759 1/20 0.53
MAPK1 P28482 2/20 0.52
PKM P14618 1/20 0.52
ALOX15 P16050 1/20 0.52
CASP1 P29466 1/20 0.52
HSD17B10 Q99714 1/20 0.52
CCR5 P51681 1/20 0.52
CHKA P35790 1/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
MAPT P10636 1/20 0.51
STAT3 P40763 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL4025066 0.95 ALDH1A1 (0.51) ALDH1A1IDECLK1MAPK1PKM
SCHEMBL4018447 0.90 MEN1 (0.63) ALDH1A1IDECLK1MAPK1PKM
SCHEMBL14253002 0.89 MEN1 (0.46) ALDH1A1IDEMAPK1HSD17B10MEN1
SCHEMBL14259384 0.88 ALDH1A1 (0.56) ALDH1A1IDECLK1MAPK1PKM
SCHEMBL4019375 0.88 ALDH1A1 (0.56) ALDH1A1IDECLK1MAPK1PKM
SCHEMBL4018523 0.88 ALDH1A1 (0.59) ALDH1A1IDECLK1MAPK1PKM
SCHEMBL4018080 0.88 ALDH1A1 (0.56) ALDH1A1IDECLK1MAPK1PKM
SCHEMBL4016912 0.87 ALDH1A1 (0.57) ALDH1A1IDECLK1MAPK1PKM
SCHEMBL4017800 0.85 PAK1 (0.55) MEN1KMT2A
SCHEMBL4017495 0.85 ALDH1A1 (0.54) ALDH1A1IDECLK1MAPK1PKM

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 8 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
US-20080125463-A1 N-(1-hetarylpiperidin-4-yl)(het)arylamides as EP2 receptor modulators BAYER SCHERING PHARMA AG (DE) 2008-05-29 US 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 ALDH1A1 1165/4885IDE 3797/4885CLK1 4407/4885

“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.