SCHEMBL4828060

SCHEMBL4828060

Cc1cc(Nc2cc(OCCCN3CCCC(C)(C)C3)cc(C(F)(F)F)c2)c2ccccc2n1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.44
HRH3 Q9Y5N1 7/20 0.42
DRD2 P14416 2/20 0.42
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
KDR P35968 1/20 0.40
HRH1 P35367 1/20 0.40
LMNA P02545 1/20 0.39
KCNH2 Q12809 5/20 0.38
ADRA1A P35348 3/20 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
SCHEMBL4829919 0.89 HRH3 (0.53) HRH3TSHRHTTADRA2AADRA2B
SCHEMBL4828011 0.89 HRH3 (0.53) HRH3TSHRHTTADRA2AADRA2B
SCHEMBL4828141 0.87 HRH3 (0.43) HRH3DRD2TSHRHTTADRA2A
SCHEMBL4828147 0.87 HRH3 (0.50) HRH3TSHRHTTADRA2AADRA2B
SCHEMBL4833563 0.87 HRH3 (0.47) HRH3TSHRHTTADRA2AADRA2B
SCHEMBL4824920 0.86 ADRA2A (0.52) HRH3DRD2TSHRHTTADRA2A
SCHEMBL4830012 0.85 TSHR (0.41) HRH3DRD2TSHRHTTADRA2A
SCHEMBL4834259 0.85 DRD2 (0.45) DRD2TSHRHTTADRA2AADRA2B
SCHEMBL4824862 0.85 HRH3 (0.47) MAOBHRH3DRD2TSHRHTT
SCHEMBL4824478 0.84 TSHR (0.45) HRH3TSHRHTTADRA2AADRA2B

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 MAOB 1717/4885HRH3 79/4885DRD2 1127/4885
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 MAOB 1717/4885HRH3 79/4885DRD2 1127/4885

“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.