SCHEMBL4826475

SCHEMBL4826475

Cc1cc(Nc2cc(OCCN3CCN(c4ccccn4)CC3)cc(C(F)(F)F)c2)c2ccccc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.51
DRD3 P35462 3/20 0.51
DRD1 P21728 2/20 0.51
SLC6A2 P23975 2/20 0.48
SLC6A4 P31645 2/20 0.48
HTR1A P08908 3/20 0.46
ADRA2C P18825 2/20 0.45
ADRA2A P08913 1/20 0.45
ADRA2B P18089 1/20 0.45
HTR2A P28223 2/20 0.44
DRD5 P21918 1/20 0.44
HTR7 P34969 1/20 0.44
HRH1 P35367 1/20 0.44
HRH3 Q9Y5N1 3/20 0.44
LMNA P02545 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL4834274 0.90 ADRA2A (0.55) DRD2SLC6A2SLC6A4HTR1AADRA2C
SCHEMBL4829986 0.89 ADRA2A (0.52) HTR1AADRA2CADRA2AADRA2BLMNA
SCHEMBL4832661 0.89 ADRA2A (0.52) DRD2SLC6A2SLC6A4ADRA2CADRA2A
SCHEMBL14279516 0.89 HTR1D (0.43) DRD2DRD3HTR1AADRA2CADRA2A
SCHEMBL4833563 0.87 HRH3 (0.47) ADRA2CADRA2AADRA2BHRH3LMNA
SCHEMBL4633738 0.87 HTR1D (0.53) HTR1AADRA2CADRA2AADRA2BLMNA
SCHEMBL4832388 0.87 ADRA2A (0.47) DRD2ADRA2CADRA2AADRA2BHRH3
SCHEMBL4832315 0.86 HTT (0.43) HTR1AADRA2CADRA2AADRA2BLMNA
SCHEMBL4830118 0.86 BRAF (0.48) SLC6A2ADRA2CADRA2AADRA2BHTR2A
SCHEMBL14279517 0.85 HTR1D (0.48) HTR1AADRA2CADRA2AADRA2BLMNA

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 2 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-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 (1 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 DRD2 1127/4885DRD3 2446/4885DRD1 2897/4885

“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.