SCHEMBL4439883

SCHEMBL4439883

COc1ccc(CCNC(=O)c2ccccc2C2CCN(CCN3C(=O)COc4ccccc43)CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 9/20 0.62
TSHR P16473 2/20 0.53
CHRM1 P11229 3/20 0.50
SMPD1 P17405 1/20 0.50
LMNA P02545 1/20 0.50
HSD17B10 Q99714 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 2/20 0.48
GAA P10253 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL4427987 0.93 UTS2R (0.61) UTS2RTSHRCHRM1LMNAHSD17B10
SCHEMBL4432427 0.92 UTS2R (0.60) UTS2RTSHRCHRM1LMNAHSD17B10
SCHEMBL4431490 0.91 UTS2R (0.64) UTS2RCHRM1ALDH1A1KMT2A
SCHEMBL4437188 0.91 TSHR (0.66) UTS2RTSHRLMNAHSD17B10
SCHEMBL4433328 0.91 UTS2R (0.61) UTS2RTSHRCHRM1HSD17B10ALDH1A1
SCHEMBL4429014 0.90 UTS2R (0.60) UTS2RTSHRCHRM1HSD17B10ALDH1A1
SCHEMBL4432566 0.90 UTS2R (0.63) UTS2RTSHRCHRM1HSD17B10ALDH1A1
SCHEMBL4427942 0.89 UTS2R (0.59) UTS2RTSHRCHRM1LMNAHSD17B10
SCHEMBL4430191 0.88 UTS2R (0.59) UTS2RTSHRCHRM1LMNAHSD17B10
SCHEMBL4431689 0.88 UTS2R (0.60) UTS2RTSHRCHRM1HSD17B10ALDH1A1

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 9 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
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-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-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
EP-2049120-A1 UROTENSIN II RECEPTOR ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2009-04-22 EP disclosed
US-20080039454-A1 Urotensin II receptor antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2008-02-14 US disclosed
US-20080039454-A1 Urotensin II receptor antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2008-02-14 US disclosed
WO-2008016534-A1 UROTENSIN II RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA, N.V. (BE) 2008-02-07 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-20080039454-A1 Urotensin II receptor antagonists UTS2R, PLAUR, NTSR2 UTS2R 1/4885TSHR 527/4885CHRM1 2657/4885

“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.