SCHEMBL4833508

SCHEMBL4833508

Cc1cc(Nc2ccccc2C(=O)NCCN2CC[C@H]3CCCC[C@H]3C2)c2ccccc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.50
UTS2R Q9UKP6 2/20 0.45
DRD2 P14416 2/20 0.45
ADRA2A P08913 1/20 0.45
SLC6A2 P23975 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
SLC6A4 P31645 1/20 0.45
TMEM97 Q5BJF2 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
RAB9A P51151 1/20 0.45
POLR1A O95602 2/20 0.43
PREP P48147 1/20 0.42
DRD3 P35462 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
NPC1 O15118 1/20 0.41
GUSB P08236 1/20 0.41
MAPT P10636 1/20 0.41
CYP1A2 P05177 2/20 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
SCHEMBL14288557 0.87 NPC1 (0.53) NR4A2UTS2RDRD2ADRA2ASLC6A2
SCHEMBL4834703 0.87 NPC1 (0.53) NR4A2UTS2RDRD2ADRA2ASLC6A2
SCHEMBL4633673 0.87 NPC1 (0.53) NR4A2UTS2RDRD2ADRA2ASLC6A2
SCHEMBL4633676 0.87 NPC1 (0.53) NR4A2UTS2RDRD2ADRA2ASLC6A2
SCHEMBL4833505 0.81 UTS2R (0.42) UTS2RDRD2ADRA2ASLC6A2HTR2A
SCHEMBL4833499 0.75 HTR7 (0.42) UTS2RDRD2ADRA2ASLC6A2HTR2A
SCHEMBL4831941 0.75 SIGMAR1 (0.51) UTS2RDRD2ADRA2ASLC6A2HTR2A
SCHEMBL4667149 0.74 SIGMAR1 (0.50) UTS2RDRD2ADRA2ASLC6A2HTR2A
SCHEMBL4828185 0.73 SIGMAR1 (0.49) UTS2RDRD2ADRA2ASLC6A2HTR2A
SCHEMBL4632041 0.73 NPC1 (0.59) UTS2RDRD2ADRA2ASLC6A2HTR2A

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 NR4A2 388/4885UTS2R 1/4885DRD2 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.