SCHEMBL4825112

SCHEMBL4825112

CC(=O)C1(Cc2ccccc2)CCN(CCOc2cccc(Nc3cc(C)nc4ccccc34)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 2/20 0.50
ADRA2A P08913 1/20 0.50
DRD2 P14416 1/20 0.50
SLC6A2 P23975 1/20 0.50
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
SLC6A4 P31645 1/20 0.50
TMEM97 Q5BJF2 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.49
NPC1 O15118 2/20 0.47
HTR1A P08908 10/20 0.47
HTR1D P28221 10/20 0.47
HTR1B P28222 10/20 0.47
GUSB P08236 1/20 0.43
MAPT P10636 1/20 0.43
ADAM17 P78536 1/20 0.43
KDM4E B2RXH2 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
SCHEMBL4834196 0.94 UTS2R (0.51) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL4831867 0.93 TSHR (0.51) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL4834411 0.93 UTS2R (0.49) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL4832742 0.92 UTS2R (0.49) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL4825185 0.92 UTS2R (0.48) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL4832382 0.92 MEN1 (0.49) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL14279461 0.90 UTS2R (0.47) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL4828135 0.90 UTS2R (0.46) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL14279460 0.89 UTS2R (0.46) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL4831869 0.89 UTS2R (0.59) UTS2RADRA2ADRD2SLC6A2HTR2A

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 UTS2R 1/4885ADRA2A 200/4885DRD2 1127/4885
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 UTS2R 1/4885ADRA2A 200/4885DRD2 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.