SCHEMBL4832111

SCHEMBL4832111

CCC1CC(C(=O)O)(c2ccccc2)CCN1CCOc1cc(Cl)cc(Nc2cc(C)nc3ccccc23)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.39
GUSB P08236 1/20 0.39
MAPT P10636 1/20 0.39
KDM4E B2RXH2 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
ADRA2A P08913 2/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
LMNA P02545 1/20 0.35
ADAM17 P78536 4/20 0.35
EHMT2 Q96KQ7 1/20 0.35
DRD2 P14416 1/20 0.34
SLC6A2 P23975 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
SLC6A4 P31645 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
UTS2R Q9UKP6 1/20 0.34

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
SCHEMBL4829906 0.87 UTS2R (0.43) NPC1GUSBMAPTKDM4ETSHR
SCHEMBL4832115 0.83 OPRM1 (0.49) MAPTLMNASLC6A4
SCHEMBL4828228 0.81 NPC1 (0.39) NPC1GUSBMAPTKDM4ETSHR
SCHEMBL4824981 0.78 UTS2R (0.43) NPC1GUSBMAPTKDM4ETSHR
SCHEMBL14279614 0.78 UTS2R (0.43) NPC1GUSBMAPTKDM4ETSHR
SCHEMBL14279613 0.77 TSHR (0.52) NPC1GUSBMAPTKDM4ETSHR
SCHEMBL4828224 0.77 KDR (0.42) NPC1GUSBMAPTKDM4ETSHR
SCHEMBL14279645 0.74 TSHR (0.51) NPC1GUSBMAPTKDM4ETSHR
SCHEMBL4834095 0.74 BRAF (0.43) NPC1KDM4ETSHRHTTADRA2A
SCHEMBL14288586 0.74 TSHR (0.48) NPC1GUSBMAPTKDM4ETSHR

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 NPC1 1830/4885GUSB 2763/4885MAPT 3170/4885
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 NPC1 1830/4885GUSB 2763/4885MAPT 3170/4885

“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.