SCHEMBL4018334

SCHEMBL4018334

O=C(NC1CCN(c2nccc3cc(Cl)ccc23)CC1)c1cccc(C(F)(F)F)c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
TAS1R2 Q8TE23 1/20 0.46
TRPV1 Q8NER1 1/20 0.43
PAK1 Q13153 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
RBP4 P02753 1/20 0.42
CCNE1 P24864 1/20 0.42
CDK2 P24941 1/20 0.42
DRD4 P21917 4/20 0.42
HTR1A P08908 1/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 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
SCHEMBL4017530 0.89 CNR1 (0.46) PAK1MEN1KMT2ACCNE1CDK2
SCHEMBL4582099 0.86 CYP1A2 (0.52) TAS1R3TAS1R1TAS1R2PAK1MEN1
SCHEMBL4583304 0.86 CNR1 (0.53) PAK1MEN1KMT2ACCNE1CDK2
SCHEMBL4023469 0.86 DRD2 (0.44) PAK1MEN1KMT2ACCNE1CDK2
SCHEMBL4168703 0.85 ALDH1A1 (0.51) MEN1KMT2A
SCHEMBL4020834 0.84 PAK1 (0.60) PAK1MEN1KMT2ACCNE1CDK2
SCHEMBL4024310 0.84 MEN1 (0.62) PAK1MEN1KMT2ADRD4HTR1A
SCHEMBL4018891 0.83 CYP1A2 (0.46) TAS1R3TAS1R1TAS1R2TRPV1PAK1
SCHEMBL4017656 0.83 MEN1 (0.51) PAK1MEN1KMT2ACCNE1CDK2
SCHEMBL4018789 0.83 DRD2 (0.44) PAK1MEN1KMT2ACCNE1CDK2

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 TAS1R3 3010/4885TAS1R1 2971/4885TAS1R2 1950/4885

“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.