SCHEMBL4830118

SCHEMBL4830118

Cc1cc(Nc2cc(OCCN3CCOCC3)cc(C(F)(F)F)c2)c2ccccc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.48
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
SRC P12931 2/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
EPHX2 P34913 1/20 0.45
MAPT P10636 1/20 0.45
RXFP1 Q9HBX9 1/20 0.44
ACP1 P24666 2/20 0.44
RAF1 P04049 1/20 0.44
LMNA P02545 1/20 0.43
MAPK14 Q16539 2/20 0.43
SLC6A2 P23975 1/20 0.43
HTR2A P28223 1/20 0.43
OPRK1 P41145 1/20 0.43
HTR2B P41595 1/20 0.43
SLC6A3 Q01959 1/20 0.43
PDE4D Q08499 1/20 0.43

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
SCHEMBL4833563 0.91 HRH3 (0.47) BRAFADRA2AADRA2BADRA2CTSHR
SCHEMBL4829986 0.91 ADRA2A (0.52) ADRA2AADRA2BADRA2CSRCTSHR
SCHEMBL4834274 0.90 ADRA2A (0.55) BRAFADRA2AADRA2BADRA2CTSHR
SCHEMBL4633738 0.89 HTR1D (0.53) ADRA2AADRA2BADRA2CTSHRHTT
SCHEMBL4832315 0.88 HTT (0.43) BRAFADRA2AADRA2BADRA2CTSHR
SCHEMBL4832206 0.88 HTR1A (0.45) ADRA2AADRA2BADRA2CTSHRHTT
SCHEMBL4832661 0.88 ADRA2A (0.52) ADRA2AADRA2BADRA2CTSHRHTT
SCHEMBL4828291 0.87 TSHR (0.43) BRAFADRA2AADRA2BADRA2CTSHR
SCHEMBL4834259 0.87 DRD2 (0.45) BRAFADRA2AADRA2BADRA2CSRC
SCHEMBL4824920 0.87 ADRA2A (0.52) ADRA2AADRA2BADRA2CSRCTSHR

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 BRAF 4461/4885ADRA2A 200/4885ADRA2B 227/4885
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 BRAF 4461/4885ADRA2A 200/4885ADRA2B 227/4885

“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.