SCHEMBL4829919

SCHEMBL4829919

Cc1cc(Nc2cc(OCCCN3CCCCCC3)cc(C(F)(F)F)c2)c2ccccc2n1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.53
KCNH2 Q12809 9/20 0.47
ADRA1A P35348 6/20 0.47
ACP1 P24666 3/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
HRH2 P25021 1/20 0.45
ADRA2A P08913 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
CACNA1B Q00975 1/20 0.45

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
SCHEMBL4828011 1.00 HRH3 (0.53) HRH3KCNH2ADRA1AACP1TSHR
SCHEMBL4828147 0.97 HRH3 (0.50) HRH3KCNH2ADRA1AACP1TSHR
SCHEMBL4833563 0.95 HRH3 (0.47) HRH3ACP1TSHRHTTADRA2A
SCHEMBL4824920 0.93 ADRA2A (0.52) HRH3ACP1TSHRHTTADRA2A
SCHEMBL5128925 0.91 HRH3 (0.49) HRH3KCNH2TSHRHTTADRA2A
SCHEMBL4824862 0.90 HRH3 (0.47) HRH3TSHRHTTADRA2AADRA2B
SCHEMBL4829869 0.90 TSHR (0.43) HRH3KCNH2ADRA1ATSHRHTT
SCHEMBL4824478 0.89 TSHR (0.45) HRH3ACP1TSHRHTTADRA2A
SCHEMBL4828060 0.89 MAOB (0.44) HRH3KCNH2ADRA1ATSHRHTT
SCHEMBL4832059 0.89 HRH3 (0.51) HRH3KCNH2

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 HRH3 79/4885KCNH2 3432/4885ADRA1A 553/4885
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 HRH3 79/4885KCNH2 3432/4885ADRA1A 553/4885

“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.