SCHEMBL4582698

SCHEMBL4582698

O=C(Nc1nncc2ccccc12)C1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 2/20 0.47
KDM4E B2RXH2 2/20 0.46
TP53 P04637 2/20 0.46
CYP3A4 P08684 2/20 0.46
GOT1 P17174 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MPO P05164 2/20 0.46
LMNA P02545 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
PKM P14618 1/20 0.46
MAOA P21397 1/20 0.46
PTGS1 P23219 1/20 0.46
THPO P40225 1/20 0.46
RAB9A P51151 1/20 0.46
AOX1 Q06278 1/20 0.46
ACOX1 Q15067 1/20 0.46
HTR6 P50406 7/20 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
SCHEMBL6072343 0.77 RIPK1 (0.50) KDM4ETP53LMNACYP1A2CYP2D6
SCHEMBL4582703 0.77 CYP1A2 (0.51) KDM4ETP53CYP3A4GOT1SMN1; SMN2
SCHEMBL5801985 0.76 HSD17B10 (0.43) KDM4ETP53CYP3A4GOT1SMN1; SMN2
SCHEMBL31098661 0.74 HTR6 (0.60) ULK1KDM4ESMN1; SMN2ALDH1A1HTR6
SCHEMBL19309255 0.73 NPC1 (0.61) KDM4ETP53CYP3A4GOT1SMN1; SMN2
Benzene SCHEMBL16340531 0.72 NPC1 (0.60) KDM4ETP53CYP3A4GOT1SMN1; SMN2
SCHEMBL16334909 0.70 ALDH1A1 (0.50) CYP3A4SMN1; SMN2MPOLMNACYP1A2
SCHEMBL4141969 0.70 HPGD (0.69) ULK1KDM4ESMN1; SMN2LMNANPC1
SCHEMBL12188142 0.69 GSK3A (0.52) ULK1
SCHEMBL16334975 0.69 ALDH1A1 (0.52) TP53SMN1; SMN2MPONPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080146576-A1 N-(1-Phthalazin-1-ylpiperidin-4-yl)amides as EP2 receptor modulators BAYER SCHERING PHARMA AG (DE) 2008-06-19 US disclosed
EP-1900731-A1 N-(1-Phthalazin-1-yl-piperidin-4-yl)-amides as EP2-receptor modulators Bayer Schering Pharma Aktiengesellschaft (DE) 2008-03-19 EP disclosed
WO-2008028689-A1 N-(1-PHTHALAZIN-1-YLPIPERIDIN-4-YL)AMIDES 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-20080146576-A1 N-(1-Phthalazin-1-ylpiperidin-4-yl)amides as EP2 receptor modulators PTGER2, PTGER1, PTGDR2 ULK1 2111/4885KDM4E 2500/4885TP53 4836/4885

“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.