SCHEMBL1472121

SCHEMBL1472121

O=C1c2cccc(N3CC4CCC(C3)N4Cc3ccccc3)c2C(=O)N1Cc1ccncc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 2/20 0.46
CYP1B1 Q16678 1/20 0.42
ACHE P22303 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
CASP3 P42574 1/20 0.40
ALDH1A1 P00352 4/20 0.39
BRD4 O60885 2/20 0.39
ALDH2 P05091 1/20 0.39
CHRM1 P11229 1/20 0.39
CES1 P23141 1/20 0.39
ALDH3A1 P30838 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL1733192 0.87 MEN1 (0.50) UTS2RCYP1B1ACHEALDH1A1BRD4
SCHEMBL1472385 0.83 UTS2R (0.53) UTS2RACHECASP3ALDH1A1BRD4
SCHEMBL1472428 0.82 UTS2R (0.59) UTS2RACHEALDH1A1KDM4EMAPT
SCHEMBL1733296 0.82 UTS2R (0.71) UTS2RALDH1A1KDM4EMAPTMAPK1
SCHEMBL12750494 0.79 UTS2R (0.51) UTS2RACHEALDH1A1KDM4EMAPT
SCHEMBL9933955 0.77 NOTUM (0.42) UTS2RCYP1B1ACHEALDH1A1KDM4E
SCHEMBL9933959 0.77 NOTUM (0.42) UTS2RCYP1B1ACHEALDH1A1KDM4E
SCHEMBL9934211 0.77 NOTUM (0.42) UTS2RCYP1B1ACHEALDH1A1KDM4E
SCHEMBL1472649 0.76 UTS2R (0.60) UTS2RALDH1A1MAPTMAPK1HPGD
SCHEMBL1472368 0.73 UTS2R (0.57) UTS2RACHENPSR1MAPTTDP1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8536174-B2 Urotensin II receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2013-09-17 US claimed
US-20120214817-A1 UROTENSIN II RECEPTOR ANTAGONISTS MARYANOFF BRUCE E (US) 2012-08-23 US claimed
US-8193191-B2 Urotensin II receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2012-06-05 US claimed
US-20110136824-A1 UROTENSIN II RECEPTOR ANTAGONISTS MARYANOFF BRUCE E 2011-06-09 US claimed
US-20070191391-A1 Urotensin II receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2007-08-16 US claimed
US-8536174-B2 Urotensin II receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2013-09-17 US disclosed
US-8536174-B2 Urotensin II receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2013-09-17 US disclosed
US-8536174-B2 Urotensin II receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2013-09-17 US disclosed
US-20120214817-A1 UROTENSIN II RECEPTOR ANTAGONISTS MARYANOFF BRUCE E (US) 2012-08-23 US disclosed
US-20120214817-A1 UROTENSIN II RECEPTOR ANTAGONISTS MARYANOFF BRUCE E (US) 2012-08-23 US disclosed
US-20120214817-A1 UROTENSIN II RECEPTOR ANTAGONISTS MARYANOFF BRUCE E (US) 2012-08-23 US disclosed
US-8193191-B2 Urotensin II receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2012-06-05 US disclosed
US-20110136824-A1 UROTENSIN II RECEPTOR ANTAGONISTS MARYANOFF BRUCE E 2011-06-09 US disclosed
US-20110136824-A1 UROTENSIN II RECEPTOR ANTAGONISTS MARYANOFF BRUCE E 2011-06-09 US disclosed
US-7915260-B2 Urotensin II receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2011-03-29 US disclosed
US-7915260-B2 Urotensin II receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2011-03-29 US disclosed
US-7915260-B2 Urotensin II receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2011-03-29 US disclosed
US-20070191391-A1 Urotensin II receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2007-08-16 US disclosed
US-20070191391-A1 Urotensin II receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2007-08-16 US disclosed
US-20070191391-A1 Urotensin II receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2007-08-16 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 (3 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-20120214817-A1 UROTENSIN II RECEPTOR ANTAGONISTS UTS2R, PLAUR, BDKRB2 UTS2R 1/4885CYP1B1 2313/4885ACHE 3226/4885
US-20070191391-A1 Urotensin II receptor antagonists UTS2R, PLAUR, BDKRB2 UTS2R 1/4885CYP1B1 2313/4885ACHE 3226/4885
US-20110136824-A1 UROTENSIN II RECEPTOR ANTAGONISTS UTS2R, PLAUR, BDKRB2 UTS2R 1/4885CYP1B1 2313/4885ACHE 3226/4885

“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.