SCHEMBL4830123

SCHEMBL4830123

CCCC1CCN(CCOc2cc(Nc3cc(C)nc4ccccc34)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.42
HTR1D P28221 8/20 0.42
HTR1B P28222 8/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
DNMT1 P26358 1/20 0.42
DNMT3A Q9Y6K1 1/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
HTR7 P34969 2/20 0.41
ADRB2 P07550 1/20 0.41
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
HTR1E P28566 1/20 0.41
HTR1F P30939 1/20 0.41
SLC6A4 P31645 1/20 0.41
ADRA1B P35368 1/20 0.41
HTR2B P41595 1/20 0.41
HTR5A P47898 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
SCHEMBL4631826 0.91 HTR1A (0.51) HTR1AHTR1DHTR1BHTR7ADRB2
SCHEMBL4832206 0.90 HTR1A (0.45) HTR1AHTR1DHTR1BTSHRHTT
SCHEMBL4829973 0.89 GRM2 (0.45) HTR1AHTR1DHTR1BTSHRHTT
SCHEMBL4829986 0.88 ADRA2A (0.52) HTR1AHTR1DHTR1BTSHRHTT
SCHEMBL4833563 0.88 HRH3 (0.47) TSHRHTTADRA2AADRA2BADRA2C
SCHEMBL4834160 0.88 HTR1A (0.42) HTR1AHTR1DHTR1BTSHRHTT
SCHEMBL4832007 0.88 CCR2 (0.42) HTR1AHTR1DHTR1BTSHRHTT
SCHEMBL4832185 0.87 TSHR (0.41) HTR1AHTR1DHTR1BTSHRHTT
SCHEMBL5128925 0.87 HRH3 (0.49) TSHRHTTDNMT1DNMT3AADRA2A
SCHEMBL4830118 0.86 BRAF (0.48) TSHRHTTADRA2AADRA2BADRA2C

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.