SCHEMBL4832322

SCHEMBL4832322

Cc1cc(Nc2cc(OCCCN3CC(C)CC(C)C3)cc(C(F)(F)F)c2)c2ccccc2n1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.49
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
LMNA P02545 1/20 0.42
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
MAOB P27338 1/20 0.41
KCNH2 Q12809 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GAK O14976 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
SCHEMBL4832317 1.00 HRH3 (0.49) HRH3TSHRHTTLMNAADRA2A
SCHEMBL4824640 0.91 TSHR (0.44) HRH3TSHRHTTLMNAADRA2A
SCHEMBL4832059 0.90 HRH3 (0.51) HRH3LMNAMAOBKCNH2
SCHEMBL5128925 0.90 HRH3 (0.49) HRH3TSHRHTTLMNAADRA2A
SCHEMBL4829919 0.87 HRH3 (0.53) HRH3TSHRHTTADRA2AADRA2B
SCHEMBL4824478 0.87 TSHR (0.45) HRH3TSHRHTTLMNAADRA2A
SCHEMBL4824920 0.87 ADRA2A (0.52) HRH3TSHRHTTLMNAADRA2A
SCHEMBL4828011 0.87 HRH3 (0.53) HRH3TSHRHTTADRA2AADRA2B
SCHEMBL4829869 0.86 TSHR (0.43) HRH3TSHRHTTLMNAADRA2A
SCHEMBL4824862 0.86 HRH3 (0.47) HRH3TSHRHTTLMNAADRA2A

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 5 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-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 HRH3 79/4885TSHR 1103/4885HTT 1829/4885
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 HRH3 79/4885TSHR 1103/4885HTT 1829/4885

“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.