SCHEMBL4836593

SCHEMBL4836593

CCCCCC1(O)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR4 P46093 1/20 0.45
USP2 O75604 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
OPRL1 P41146 1/20 0.40
CNR2 P34972 1/20 0.39
SPHK1 Q9NYA1 1/20 0.39
HPGD P15428 1/20 0.38
EPHX2 P34913 1/20 0.38
GPR119 Q8TDV5 3/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
DPP4 P27487 1/20 0.37
RECQL P46063 1/20 0.37

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
SCHEMBL597478 0.95 GPR4 (0.46) GPR4USP2SMN1; SMN2CYP4F2CYP4A11
SCHEMBL26044480 0.93 CYP4F2 (0.42) GPR4USP2SMN1; SMN2CYP4F2CYP4A11
SCHEMBL26665513 0.89 USP2 (0.47) GPR4USP2SMN1; SMN2HPGDEPHX2
SCHEMBL31597018 0.87 USP2 (0.43) GPR4USP2SMN1; SMN2CYP4F2CYP4A11
SCHEMBL20812730 0.87 CYP4F2 (0.54) GPR4USP2SMN1; SMN2CYP4F2CYP4A11
SCHEMBL1575709 0.87 CYP4F2 (0.47) GPR4USP2SMN1; SMN2CYP4F2CYP4A11
SCHEMBL7169881 0.85 CYP4F2 (0.46) GPR4USP2SMN1; SMN2CYP4F2CYP4A11
SCHEMBL18669304 0.85 USP2 (0.44) GPR4USP2SMN1; SMN2CYP4F2CYP4A11
SCHEMBL18481419 0.84 USP2 (0.43) USP2SMN1; SMN2CYP4F2CYP4A11CNR2
SCHEMBL22906696 0.84 SPHK1 (0.44) GPR4USP2SMN1; SMN2CYP4F2CYP4A11

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080312271-A1 AZABENZIMIDAZOLYL COMPOUNDS PFIZER INC. 2008-12-18 US disclosed
US-20080280933-A1 BENZIMIDAZOLYL COMPOUNDS EFREMOV IVAN 2008-11-13 US disclosed
WO-2008012622-A2 AZABENZIMIDAZOLYL COMPOUNDS AS POTENTIATORS OF MGLUR2 SUBTYPE OF GLUTAMATE RECEPTOR PFIZER PRODUCTS INC. (US) 2008-01-31 WO disclosed
EP-1318978-A2 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS Abbott Laboratories (US) 2003-06-18 EP disclosed
US-6436962-B1 ALPHA 1A ADRENERGIC RECEPTOR ANTAGONISTS; RELIEF FROM BENIGN PROSTATIC HYPERPLASIA BY LESS HINDERED URINE FLOW BY RELAXING SMOOTH MUSCLE TISSUE; WITH A TESTOSTERONE 5-ALPHA REDUCTASE INHIBITOR, FINASTERIDE; ACUTE AND CHRONIC RELIEF MERCK & CO., INC. 2002-08-20 US disclosed
WO-2002024636-A2 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2002-03-28 WO disclosed
US-6339090-B1 FOR THERAPY OF BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC. 2002-01-15 US disclosed
US-6316437-B1 ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO., INC. 2001-11-13 US disclosed
WO-2000006565-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2000-02-10 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-20080280933-A1 BENZIMIDAZOLYL COMPOUNDS PAICS, TMBIM6, ABCG2 GPR4 3763/4885USP2 4774/4885SMN1; SMN2 478/4885
US-20080312271-A1 AZABENZIMIDAZOLYL COMPOUNDS AZI2, PAICS, UGT2B7 GPR4 3933/4885USP2 4550/4885SMN1; SMN2 550/4885

“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.