SCHEMBL4829989

SCHEMBL4829989

COC1(Cc2ccccc2)CCN(CCOc2cccc(Nc3cc(C)nc4ccccc34)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
HTT P42858 1/20 0.54
UTS2R Q9UKP6 2/20 0.46
ADRA2A P08913 2/20 0.46
DRD2 P14416 1/20 0.46
SLC6A2 P23975 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
SLC6A4 P31645 1/20 0.46
TMEM97 Q5BJF2 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
HTR1A P08908 3/20 0.45
HTR1D P28221 3/20 0.45
HTR1B P28222 3/20 0.45
ACP1 P24666 8/20 0.44
LMNA P02545 1/20 0.43
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
ABCB1 P08183 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41

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
SCHEMBL4831869 0.89 UTS2R (0.59) TSHRHTTUTS2RADRA2ADRD2
SCHEMBL14320172 0.89 UTS2R (0.44) TSHRHTTUTS2RADRA2ADRD2
SCHEMBL4824511 0.88 DRD2 (0.43) TSHRHTTUTS2RADRA2ADRD2
SCHEMBL4831867 0.87 TSHR (0.51) TSHRHTTUTS2RADRA2ADRD2
SCHEMBL4834196 0.87 UTS2R (0.51) TSHRHTTUTS2RADRA2ADRD2
SCHEMBL4825112 0.86 UTS2R (0.50) TSHRHTTUTS2RADRA2ADRD2
SCHEMBL4834411 0.85 UTS2R (0.49) TSHRHTTUTS2RADRA2ADRD2
SCHEMBL4828174 0.85 TSHR (0.54) TSHRHTTUTS2RADRA2ADRD2
SCHEMBL4632731 0.85 HTR1D (0.60) TSHRHTTHTR1AHTR1DHTR1B
SCHEMBL4832742 0.85 UTS2R (0.49) TSHRHTTUTS2RADRA2ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7320989-B2 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-01-22 US disclosed
US-7320989-B2 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-01-22 US disclosed
US-7320989-B2 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-01-22 US disclosed
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. 2008-01-03 US disclosed
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. 2008-01-03 US disclosed
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. 2008-01-03 US disclosed
US-20050054850-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS INC. 2005-03-10 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 (2 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-20050054850-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 TSHR 1103/4885HTT 1829/4885UTS2R 1/4885
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 TSHR 1103/4885HTT 1829/4885UTS2R 1/4885

“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.