SCHEMBL4829917

SCHEMBL4829917

Cc1cccc(C2CCN(CCOc3cc(Nc4cc(C)nc5ccccc45)cc(C(F)(F)F)c3)CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.45
HTR1D P28221 5/20 0.45
HTR1B P28222 5/20 0.45
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
MCHR1 Q99705 2/20 0.41
DRD2 P14416 2/20 0.41
DRD4 P21917 1/20 0.41
GRM2 Q14416 1/20 0.41
HTR7 P34969 2/20 0.40
TLR9 Q9NR96 1/20 0.40
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
HRH3 Q9Y5N1 2/20 0.39
LMNA P02545 1/20 0.38

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
SCHEMBL4832206 0.95 HTR1A (0.45) HTR1AHTR1DHTR1BTSHRHTT
SCHEMBL6333164 0.95 DRD2 (0.47) HTR1AHTR1DHTR1BTSHRHTT
SCHEMBL4834160 0.93 HTR1A (0.42) HTR1AHTR1DHTR1BTSHRHTT
SCHEMBL4828166 0.92 HTR1A (0.44) HTR1AHTR1DHTR1BTSHRHTT
SCHEMBL4832541 0.92 TSHR (0.51) HTR1AHTR1DHTR1BTSHRHTT
SCHEMBL4829973 0.92 GRM2 (0.45) HTR1AHTR1DHTR1BTSHRHTT
SCHEMBL4832007 0.91 CCR2 (0.42) HTR1AHTR1DHTR1BTSHRHTT
SCHEMBL4824862 0.91 HRH3 (0.47) HTR1AHTR1DHTR1BTSHRHTT
SCHEMBL4825834 0.90 LMNA (0.49) HTR1AHTR1DHTR1BTSHRHTT
SCHEMBL4832330 0.90 HTR1A (0.43) HTR1AHTR1DHTR1BTSHRHTT

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 HTR1A 600/4885HTR1D 533/4885HTR1B 342/4885
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 HTR1A 600/4885HTR1D 533/4885HTR1B 342/4885

“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.