SCHEMBL4018822

SCHEMBL4018822

NC(=O)C1C[CH]CCN1c1ccnc2cc(Cl)ccc12

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.51
ALDH1A1 P00352 1/20 0.51
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
IDE P14735 3/20 0.50
MAPK1 P28482 2/20 0.50
CLK1 P49759 1/20 0.50
CCR5 P51681 1/20 0.49
PKM P14618 1/20 0.49
ALOX15 P16050 1/20 0.49
CASP1 P29466 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MAPT P10636 1/20 0.48
STAT3 P40763 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
RXFP1 Q9HBX9 1/20 0.47
ADRB2 P07550 1/20 0.46
NCF1 P14598 1/20 0.46
DPP4 P27487 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
SCHEMBL4018096 0.84 NCF1 (0.42) ADRB2NCF1DPP4
SCHEMBL4017236 0.82 CYP1A2 (0.47) ALDH1A1MEN1KMT2AIDEMAPK1
SCHEMBL5443013 0.75 MAPK1 (0.60) CHKAALDH1A1MEN1KMT2AIDE
SCHEMBL6473990 0.74 CYP17A1 (0.34)
SCHEMBL7387303 0.73 ALDH1A1 (0.53) CHKAALDH1A1MEN1KMT2AIDE
SCHEMBL27613311 0.72 CLK1 (0.77) CHKAALDH1A1MEN1KMT2AIDE
SCHEMBL3964093 0.72 TRPV1 (0.39)
SCHEMBL13891514 0.69 PKM (0.88) CHKAALDH1A1MEN1KMT2AIDE
SCHEMBL5307848 0.69 CHKA (1.00) CHKAALDH1A1MEN1KMT2AIDE
SCHEMBL17327868 0.69 CHKA (1.00) CHKAALDH1A1MEN1KMT2AIDE

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
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
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 CHKA 1935/4885ALDH1A1 1165/4885MEN1 4250/4885

“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.