SCHEMBL4023826

SCHEMBL4023826

O=C(NC1CCN(c2ccnc3cc(Cl)ccc23)CC1)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
CCR2 P41597 1/20 0.49
IDE P14735 1/20 0.49
MAPK1 P28482 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPT P10636 1/20 0.49
STAT3 P40763 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
LMNA P02545 1/20 0.49
CLK1 P49759 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
CCR5 P51681 1/20 0.48
PKM P14618 1/20 0.47
ALOX15 P16050 1/20 0.47
CASP1 P29466 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL4014341 0.89 ALDH1A1 (0.59) ALDH1A1IDEMAPK1MEN1KMT2A
SCHEMBL4019740 0.87 CYP1A2 (0.50) CCR2LMNA
SCHEMBL4017484 0.86 ALDH1A1 (0.52) ALDH1A1IDEMAPK1MEN1KMT2A
SCHEMBL14214179 0.85 ALDH1A1 (0.55) ALDH1A1IDEMAPK1MEN1KMT2A
SCHEMBL4015431 0.85 ALDH1A1 (0.55) ALDH1A1IDEMAPK1MEN1KMT2A
SCHEMBL4016423 0.85 ALDH1A1 (0.55) ALDH1A1IDEMAPK1MEN1KMT2A
SCHEMBL4015998 0.85 CCNE1 (0.47) ALDH1A1CCR2SMN1; SMN2LMNA
SCHEMBL4018937 0.83 ALDH1A1 (0.52) ALDH1A1IDEMAPK1MEN1KMT2A
SCHEMBL4018805 0.83 CCNE1 (0.56) ALDH1A1IDEMAPK1MEN1KMT2A
SCHEMBL4023937 0.82 ALDH1A1 (0.48) ALDH1A1IDEMAPK1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2066654-A1 N-(1-HETARYLPIPERIDIN-4-YL)(HET)ARYLAMIDES AS EP2 RECEPTOR MODULATORS Bayer Schering Pharma AG (DE) 2009-06-10 EP claimed
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
WO-2008028691-A1 N-(1-HETARYLPIPERIDIN-4-YL)(HET)ARYLAMIDES AS EP2 RECEPTOR MODULATORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-03-13 WO 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
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 1165/4885CCR2 1040/4885IDE 3797/4885

“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.