SCHEMBL6253535

SCHEMBL6253535

CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2ccc(CO)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.53
SMARCA2 P51531 1/20 0.50
SMARCA4 P51532 1/20 0.50
PBRM1 Q86U86 1/20 0.50
CKS1B P61024 2/20 0.47
SKP1 P63208 2/20 0.47
SKP2 Q13309 2/20 0.47
BACE1 P56817 3/20 0.47
PDK2 Q15119 1/20 0.47
ACHE P22303 1/20 0.46
ALK Q9UM73 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
GAA P10253 1/20 0.45
MEN1 O00255 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
CHRM2 P08172 1/20 0.45
CHRM4 P08173 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45

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
SCHEMBL20818663 0.89 CKS1B (0.58) GPR119SMARCA2SMARCA4PBRM1CKS1B
SCHEMBL6228319 0.86 GPR119 (0.49) GPR119SMARCA2SMARCA4PBRM1CKS1B
SCHEMBL6266142 0.84 SMARCA2 (0.49) GPR119SMARCA2SMARCA4PBRM1CKS1B
SCHEMBL1136833 0.82 MAPT (0.64) GPR119SMN1; SMN2GAAMEN1CYP2C19
SCHEMBL615074 0.81 CHRM2 (0.52) GPR119SMARCA2SMARCA4PBRM1CKS1B
SCHEMBL22957522 0.79 GPR119 (0.48) GPR119SMARCA2SMARCA4PBRM1CKS1B
SCHEMBL6694173 0.78 IDO1 (0.42) SMARCA2SMARCA4PBRM1BACE1PDK2
SCHEMBL3320806 0.78 GRIA1 (0.51) GPR119CKS1BSKP1SKP2ACHE
SCHEMBL109888 0.78 CKS1B (0.53) GPR119SMARCA2SMARCA4PBRM1CKS1B
SCHEMBL7981893 0.78 GAA (0.56) GPR119SMARCA2SMARCA4PBRM1CKS1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1592772-A2 5HT7 ANTAGONISTS AND INVERSE AGONISTS Pfizer Products Incorporated (US) 2005-11-09 EP disclosed
US-20040229874-A1 5HT7 Antagonists and inverse agonists PFIZER INC. 2004-11-18 US disclosed
US-6803379-B2 TREATMENT OF VIRAL, BACTERIAL, PARASITIC, PROLIFERATIVE DISEASES, NEURODEGENERATIVE DISEASES, INFLAMMATORY DISEASES, HEAVY METAL POISONING AND IMMUNOGICAL DISEASES WITH THIOPHENE-2-CARBOXYLIC ACID, 2-FUROIC ACID OR DERIVATIVES POL'S LABORATORIOS BIOTECHNOLOGY, S.A. (AR) 2004-10-12 US disclosed
US-20040167204-A1 Pharmacological agents and methods of treatment that inactivate pathogenic prokaryotic and eukaryotic cells and viruses by attacking highly conserved domains in structural metalloprotien and metalloenzyme targets FERNANDEZ-POL JOSE A (US) 2004-08-26 US disclosed
WO-2004067703-A2 5HT7 ANTAGONISTS AND INVERSE AGONISTS PFIZER PRODUCTS INC. (US) 2004-08-12 WO disclosed
US-20030225155-A1 Pharmacological agents and methods of treatment that inactivate pathogenic prokaryotic and eukaryotic cells and viruses by attacking highly conserved domains in structural metalloprotein and metalloenzyme targets POL'S LABORATORIOS BIOTECHNOLOGY, S.A. (AR) 2003-12-04 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 (3 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-20040167204-A1 Pharmacological agents and methods of treatment that inactivate pathogenic prokaryotic and eukaryotic cells and viruses by attacking highly conserved domains in structural metalloprotien and metalloenzyme targets ZFX, ZFR, SLC30A6 GPR119 3337/4885SMARCA2 4022/4885SMARCA4 4339/4885
US-20040229874-A1 5HT7 Antagonists and inverse agonists HTR7, HTR1A, HTR1B GPR119 133/4885SMARCA2 4569/4885SMARCA4 4431/4885
US-20030225155-A1 Pharmacological agents and methods of treatment that inactivate pathogenic prokaryotic and eukaryotic cells and viruses by attacking highly conserved domains in structural metalloprotein and metalloenzyme targets ZFX, ZFR, SLC30A6 GPR119 3121/4885SMARCA2 3975/4885SMARCA4 4355/4885

“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.