SCHEMBL4832020

SCHEMBL4832020

Cc1cc(Nc2cc(C(=O)O)c(C)c(C(=O)NCCN3CCc4ccccc4C3)c2)c2ccccc2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.49
DRD2 P14416 3/20 0.46
ADRA2A P08913 2/20 0.46
UTS2R Q9UKP6 2/20 0.46
SLC6A2 P23975 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
SLC6A4 P31645 1/20 0.46
TMEM97 Q5BJF2 1/20 0.46
DRD4 P21917 1/20 0.46
ALDH1A1 P00352 6/20 0.45
KDM4E B2RXH2 5/20 0.45
MAPT P10636 5/20 0.45
POLB P06746 3/20 0.45
GAA P10253 3/20 0.45
HPGD P15428 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
DRD3 P35462 2/20 0.44
LMNA P02545 4/20 0.44
USP2 O75604 3/20 0.44

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
SCHEMBL4667149 0.89 SIGMAR1 (0.50) SIGMAR1DRD2ADRA2AUTS2RSLC6A2
SCHEMBL4791106 0.89 SIGMAR1 (0.50) SIGMAR1DRD2ADRA2AUTS2RSLC6A2
SCHEMBL4632034 0.89 SIGMAR1 (0.49) SIGMAR1DRD2ADRA2AUTS2RSLC6A2
SCHEMBL4825599 0.88 SIGMAR1 (0.49) SIGMAR1DRD2ADRA2AUTS2RSLC6A2
SCHEMBL4830033 0.88 SIGMAR1 (0.49) SIGMAR1DRD2ADRA2AUTS2RSLC6A2
SCHEMBL4831941 0.87 SIGMAR1 (0.51) SIGMAR1DRD2ADRA2AUTS2RSLC6A2
SCHEMBL4825021 0.86 SIGMAR1 (0.61) SIGMAR1DRD2TMEM97DRD4ALDH1A1
SCHEMBL5128931 0.86 SIGMAR1 (0.50) SIGMAR1DRD2ADRA2AUTS2RSLC6A2
SCHEMBL4824881 0.85 NPC1 (0.55) SIGMAR1DRD2ADRA2AUTS2RSLC6A2
SCHEMBL14279426 0.84 KDM4E (0.52) SIGMAR1DRD2ADRA2AUTS2RSLC6A2

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 3 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-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 SIGMAR1 708/4885DRD2 1127/4885ADRA2A 200/4885
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 SIGMAR1 708/4885DRD2 1127/4885ADRA2A 200/4885

“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.