SCHEMBL4438112

SCHEMBL4438112

CC(C)(C)CC(=O)N1CCC(CNC(=O)c2cc(Cl)ccc2C2CCN(CCN3C=COC(C4=CC=CC(=O)C4)=C3)CC2)CC1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 9/20 0.58
CACNA1I Q9P0X4 6/20 0.40
KCNH2 Q12809 5/20 0.40
LMNA P02545 2/20 0.36
TP53 P04637 2/20 0.36
CNR1 P21554 1/20 0.33
CACNA1H O95180 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL4440107 0.90 UTS2R (0.59) UTS2RLMNATP53
SCHEMBL4430372 0.88 UTS2R (0.59) UTS2RCACNA1IKCNH2
SCHEMBL4432724 0.86 UTS2R (0.61) UTS2RLMNATP53
SCHEMBL4434016 0.85 UTS2R (0.41) UTS2RCACNA1IKCNH2
SCHEMBL4431968 0.85 UTS2R (0.61) UTS2RLMNATP53CYP2D6
SCHEMBL4437091 0.85 UTS2R (0.59) UTS2RLMNATP53
SCHEMBL4430270 0.83 UTS2R (0.61) UTS2RTP53
SCHEMBL4438280 0.82 UTS2R (0.42) UTS2R
SCHEMBL4429751 0.82 KCNH2 (0.37) UTS2RKCNH2
SCHEMBL4437100 0.82 UTS2R (0.35) UTS2R

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-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
EP-2049120-A1 UROTENSIN II RECEPTOR ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2009-04-22 EP claimed
US-20080039454-A1 Urotensin II receptor antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2008-02-14 US claimed
WO-2008016534-A1 UROTENSIN II RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA, N.V. (BE) 2008-02-07 WO claimed
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 disclosed
US-20080039454-A1 Urotensin II receptor antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2008-02-14 US 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-20080039454-A1 Urotensin II receptor antagonists UTS2R, PLAUR, NTSR2 UTS2R 1/4885CACNA1I 4142/4885KCNH2 3844/4885

“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.