SCHEMBL4826586

SCHEMBL4826586

Cc1cc(Nc2cccc(OCCN3CCN(Cc4cccc(C(F)(F)F)c4)CC3)c2)c2ccccc2n1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.56
LMNA P02545 2/20 0.56
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
GAA P10253 1/20 0.56
KMT2A Q03164 1/20 0.56
HTR1D P28221 6/20 0.52
HTR1B P28222 6/20 0.52
HTR1A P08908 4/20 0.52
TSHR P16473 1/20 0.51
ACP1 P24666 7/20 0.51
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
FAAH O00519 3/20 0.44
SIRT2 Q8IXJ6 1/20 0.44

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
SCHEMBL4828140 0.93 HTT (0.53) HTTLMNAKDM4EALDH1A1GAA
SCHEMBL4632731 0.92 HTR1D (0.60) HTTLMNAKDM4EALDH1A1GAA
SCHEMBL4832636 0.90 HTR1D (0.55) HTTHTR1DHTR1BHTR1ATSHR
SCHEMBL4833899 0.89 DRD2 (0.55) HTTLMNAKDM4EALDH1A1GAA
SCHEMBL4826322 0.88 TSHR (0.54) HTTHTR1DHTR1BHTR1ATSHR
SCHEMBL4633738 0.87 HTR1D (0.53) HTTLMNAKDM4EALDH1A1GAA
SCHEMBL4834061 0.87 HTR1D (0.60) HTTLMNAKDM4EALDH1A1GAA
SCHEMBL4832775 0.87 HTR1D (0.49) HTTLMNAKDM4EALDH1A1GAA
SCHEMBL4832197 0.85 HTR1D (0.51) HTTLMNAKDM4EALDH1A1GAA
SCHEMBL4832281 0.83 TSHR (0.61) HTTLMNATSHRACP1

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 HTT 1829/4885LMNA 3004/4885KDM4E 4818/4885
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 HTT 1829/4885LMNA 3004/4885KDM4E 4818/4885

“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.