Sugi Predict

Sugi Predict / Compounds / SCHEMBL4428003

SCHEMBL4428003

SCHEMBL4428003

COc1cc(CCNC(=O)c2ccccc2C2CCN(CCN3C=COC(C4=CC=CC(=O)C4)=C3)CC2)cc(OC)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD3 P35462 1/20 0.36
▸ MCHR1 Q99705 4/20 0.35
▸ POLB P06746 1/20 0.35
▸ UTS2R Q9UKP6 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ BCL3 P20749 1/20 0.34
▸ NAMPT P43490 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ SLC5A7 Q9GZV3 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAOB P27338 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ CASP7 P55210 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
SCHEMBL4882283 0.95 CCR3 (0.38) SLC5A7SIGMAR1
SCHEMBL4881598 0.94 SMN1; SMN2 (0.40) ALDH1A1GAABCL3SMN1; SMN2LMNA
SCHEMBL4437192 0.91 CRHBP (0.42) POLBALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL4432781 0.90 NPFFR1 (0.36) POLBUTS2RALDH1A1GAASMN1; SMN2
SCHEMBL4563703 0.90 BCL3 (0.36) DRD3UTS2RALDH1A1BCL3LMNA
SCHEMBL4430196 0.89 DRD4 (0.36) MCHR1UTS2R
SCHEMBL4430408 0.89 UTS2R (0.37) DRD3POLBUTS2RALDH1A1GAA
SCHEMBL4890066 0.88 BCL3 (0.38) DRD3POLBALDH1A1BCL3SMN1; SMN2
SCHEMBL4438694 0.88 ADRA1A (0.36) MCHR1UTS2RALDH1A1BCL3SIGMAR1
SCHEMBL4432573 0.87 TNKS (0.38) DRD3MCHR1POLBUTS2RLMNA

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 8 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
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
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 DRD3 1857/4885MCHR1 258/4885POLB 4040/4885

“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.