SCHEMBL5953968

SCHEMBL5953968

CN(C)CC(=O)Cc1ccc2ccccc2c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.50
MC4R P32245 1/20 0.49
MC3R P41968 1/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2A6 P11509 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALOX5 P09917 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ACHE P22303 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
VNN1 O95497 1/20 0.45
BCHE P06276 1/20 0.44
HTR2C P28335 1/20 0.44
ADRA1A P35348 1/20 0.44
HTR2B P41595 1/20 0.44
HTR6 P50406 1/20 0.44
SLC6A3 Q01959 1/20 0.44
NLRP3 Q96P20 1/20 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
SCHEMBL3828870 0.84 CYP1A2 (0.49) MC4RMC3RCYP1A2CYP2A6L3MBTL1
SCHEMBL4310873 0.84 ALOX5 (0.56) MC4RMC3RCYP1A2CYP2A6L3MBTL1
SCHEMBL13061973 0.81 CYP1A2 (0.57) MC4RMC3RCYP1A2CYP2A6L3MBTL1
SCHEMBL18381484 0.80 MC4R (0.56) SIGMAR1MC4RMC3RCYP1A2CYP2A6
SCHEMBL21705053 0.79 NR1H4 (0.58) SIGMAR1CYP1A2CYP2A6L3MBTL1ALOX5
SCHEMBL6341622 0.79 ALOX5 (0.51) MC4RMC3RCYP1A2CYP2A6L3MBTL1
SCHEMBL3329127 0.78 CES2 (0.52) L3MBTL1ALOX5MEN1KMT2A
SCHEMBL11634753 0.78 ALOX5 (0.50) MC4RMC3RCYP1A2CYP2A6L3MBTL1
SCHEMBL8077463 0.77 ALOX5 (0.50) SIGMAR1MC4RMC3RCYP1A2CYP2A6
Hydrochloric Acid SCHEMBL5613814 0.77 CES2 (0.50) L3MBTL1ALOX5MEN1KMT2A

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-20060058374-A1 Urotensin II receptor agents ACADIA PHARMACEUTICALS INC. 2006-03-16 US disclosed
US-20040077529-A1 Urotensin II receptor agents ACADIA PHARMACEUTICALS, INC. 2004-04-22 US disclosed
WO-2003104216-A1 UROTENSIN II RECEPTOR MODULATORS ACADIA PHARMACEUTICALS INC. (US) 2003-12-18 WO 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-20040077529-A1 Urotensin II receptor agents UTS2R, PLAUR, GPR17 SIGMAR1 677/4885MC4R 650/4885MC3R 369/4885
US-20060058374-A1 Urotensin II receptor agents UTS2R, PLAUR, SCTR SIGMAR1 793/4885MC4R 586/4885MC3R 315/4885

“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.