SCHEMBL4824920

SCHEMBL4824920

Cc1cc(Nc2cc(OCCCN3CCN(C)CC3)cc(C(F)(F)F)c2)c2ccccc2n1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.52
ADRA2B P18089 1/20 0.52
ADRA2C P18825 1/20 0.52
NTRK1 P04629 1/20 0.47
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
HRH3 Q9Y5N1 2/20 0.44
LMNA P02545 1/20 0.44
DRD3 P35462 2/20 0.43
DRD2 P14416 1/20 0.42
MET P08581 1/20 0.42
ACP1 P24666 1/20 0.42
DNMT1 P26358 1/20 0.42
RAD52 P43351 1/20 0.42
CXCR1 P25024 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PDGFRB P09619 1/20 0.41
SRC P12931 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
SCHEMBL4829986 0.95 ADRA2A (0.52) ADRA2AADRA2BADRA2CNTRK1TSHR
SCHEMBL4829919 0.93 HRH3 (0.53) ADRA2AADRA2BADRA2CTSHRHTT
SCHEMBL4828011 0.93 HRH3 (0.53) ADRA2AADRA2BADRA2CTSHRHTT
SCHEMBL4829869 0.91 TSHR (0.43) ADRA2AADRA2BADRA2CNTRK1TSHR
SCHEMBL4824478 0.91 TSHR (0.45) ADRA2AADRA2BADRA2CNTRK1TSHR
SCHEMBL5128925 0.91 HRH3 (0.49) ADRA2AADRA2BADRA2CTSHRHTT
SCHEMBL4828147 0.90 HRH3 (0.50) ADRA2AADRA2BADRA2CTSHRHTT
SCHEMBL4824862 0.90 HRH3 (0.47) ADRA2AADRA2BADRA2CTSHRHTT
SCHEMBL4828141 0.89 HRH3 (0.43) ADRA2AADRA2BADRA2CTSHRHTT
SCHEMBL4833563 0.88 HRH3 (0.47) ADRA2AADRA2BADRA2CTSHRHTT

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 6 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-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 ADRA2A 200/4885ADRA2B 227/4885ADRA2C 163/4885
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 ADRA2A 200/4885ADRA2B 227/4885ADRA2C 163/4885

“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.