SCHEMBL4886094

SCHEMBL4886094

CN(CCc1ccccc1)C(=O)c1ccccc1C1CCN(CCN2C=COC(C3=CC=CC(=O)C3)=C2)CC1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.34
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
OPRD1 P41143 3/20 0.33
OPRK1 P41145 2/20 0.33
ACHE P22303 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
ABCB1 P08183 1/20 0.32
HRH3 Q9Y5N1 2/20 0.32
KCNH2 Q12809 1/20 0.32
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL4885369 0.92 KMT2A (0.34) OPRM1KDM4EMEN1ALDH1A1TSHR
SCHEMBL4889118 0.86 SIGMAR1 (0.36) KDM4EALDH1A1KMT2ALMNAGAA
SCHEMBL4563480 0.85 HPGD (0.34) OPRM1MEN1KMT2AOPRD1OPRK1
SCHEMBL4432781 0.85 NPFFR1 (0.36) KDM4EMEN1ALDH1A1KMT2AOPRD1
SCHEMBL4886384 0.84 POLB (0.41) KDM4EMEN1ALDH1A1TSHRKMT2A
SCHEMBL15808512 0.84 EPHX2 (0.37) ALDH1A1TSHR
SCHEMBL4880934 0.83 UTS2R (0.38) MEN1ALDH1A1KMT2A
SCHEMBL4432414 0.83 ASAH1 (0.39) MEN1TSHRKMT2A
SCHEMBL4430432 0.83 ALDH1A1 (0.35) KDM4EMEN1ALDH1A1TSHRKMT2A
SCHEMBL4440078 0.80 UTS2R (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8759342-B2 Benzo[1,4]oxazin-3-one, benzo[1,4]thiazin-3-one and quinolin-2-one urotensin II receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2014-06-24 US claimed
US-20080039454-A1 Urotensin II receptor antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2008-02-14 US claimed

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-20080039454-A1 Urotensin II receptor antagonists UTS2R, PLAUR, NTSR2 OPRM1 557/4885KDM4E 4604/4885MEN1 2791/4885

“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.