SCHEMBL4016380

SCHEMBL4016380

O=C(NC1CCN(c2nccc3ccccc23)CC1)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.52
PAK1 Q13153 4/20 0.49
CCNE1 P24864 3/20 0.48
CDK2 P24941 3/20 0.48
TMPRSS15 P98073 1/20 0.48
HPGDS O60760 1/20 0.48
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
NPC1 O15118 1/20 0.46
CKS1B P61024 1/20 0.46
SKP1 P63208 1/20 0.46
SKP2 Q13309 1/20 0.46
EZH2 Q15910 1/20 0.45
PKM P14618 1/20 0.45
MAPT P10636 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
SCHEMBL4020829 0.88 MEN1 (0.46) USP30PAK1CCNE1CDK2DRD2
SCHEMBL4018090 0.84 PDGFRB (0.60) USP30PAK1
SCHEMBL4024322 0.84 MAPT (0.58) PAK1CCNE1CDK2DRD2CKS1B
SCHEMBL4020873 0.82 PDGFRB (0.61) USP30CCNE1CDK2TMPRSS15HPGDS
SCHEMBL4019291 0.76 PAK1 (0.63) PAK1DRD2DRD4
SCHEMBL8738582 0.75 USP30 (0.65) USP30NPC1EZH2PKM
SCHEMBL4583340 0.75 MALT1 (0.45) PAK1CCNE1CDK2DRD2DRD4
SCHEMBL2921452 0.75 PDGFRB (0.74)
SCHEMBL27649227 0.74 HRH4 (0.47) PAK1DRD2DRD4
SCHEMBL4016289 0.74 MEN1 (0.55) PAK1DRD4

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
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
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

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 USP30 3258/4885PAK1 1977/4885CCNE1 3709/4885

“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.