SCHEMBL3963919

SCHEMBL3963919

CC(C)c1ccc(CN(Cc2ccc(Cl)cc2)C(=O)CCl)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
HTT P42858 3/20 0.59
RAB9A P51151 2/20 0.59
SMN1; SMN2 Q16637 4/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
YAP1 P46937 1/20 0.45
TEAD4 Q15561 1/20 0.45
TEAD2 Q15562 1/20 0.45
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
CNR2 P34972 1/20 0.43
TP53 P04637 3/20 0.43
MAPT P10636 2/20 0.43
THRB P10828 1/20 0.43
POLB P06746 1/20 0.42
KDM4E B2RXH2 1/20 0.42
NPSR1 Q6W5P4 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
SCHEMBL3963003 0.88 ALDH1A1 (0.68) ALDH1A1HTTRAB9ASMN1; SMN2MEN1
SCHEMBL3964939 0.80 RAB9A (0.58) ALDH1A1HTTRAB9ASMN1; SMN2MEN1
SCHEMBL5932465 0.78 MEN1 (0.53) ALDH1A1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL3965065 0.77 ALDH1A1 (0.54) ALDH1A1HTTRAB9ASMN1; SMN2MEN1
SCHEMBL5932456 0.76 HDAC1 (0.49) RAB9ASMN1; SMN2MEN1KMT2AHDAC1
SCHEMBL9824635 0.75 ALDH1A1 (1.00) ALDH1A1HTTRAB9ASMN1; SMN2MEN1
SCHEMBL5933433 0.75 HDAC1 (0.48) RAB9ASMN1; SMN2MEN1KMT2AHDAC1
SCHEMBL5933444 0.75 HDAC1 (0.48) RAB9ASMN1; SMN2MEN1KMT2AHDAC1
SCHEMBL3967969 0.74 GAA (0.51) ALDH1A1HTTRAB9ASMN1; SMN2MEN1
SCHEMBL21777646 0.73 ALDH1A1 (0.52) ALDH1A1HTTRAB9ASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7488844-B2 Therapeutic agents ASTRAZENECA AB (SE) 2009-02-10 US disclosed
US-20070244198-A1 Carboxylic Derivatives LI LANNA 2007-10-18 US disclosed
US-20060258866-A1 Carboxylic derivates ASTRAZENECA AB, A SWEDEN CORPORATION 2006-11-16 US disclosed
EP-1676833-A1 Propionic acid derivatives useful in the treatment of lipid disorders AstraZeneca AB (SE) 2006-07-05 EP disclosed
EP-1675820-A2 PROPIONIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF LIPID DISORDERS AstraZeneca AB (SE) 2006-07-05 EP disclosed
US-20050282822-A1 Therapeutic agents ASTRAZENECA AB (SE) 2005-12-22 US disclosed
US-20050148656-A1 3-(amino-oxo(alkyl, alkyloxy and alkylthio)phenyl) propanoic and propenoic acid derivatives; peroxisome proliferator-activated receptors agonists; dyslipidemias with or without insulin resisitance and associated metabolic disorders (metabolic syndrome) including obesity, hypertension, type 2 diabetes ASTRAZENECA AB (SE) 2005-07-07 US disclosed
WO-2004113270-A2 PROPIONIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF LIPID DISORDERS ASTRAZENECA AB (SE) 2004-12-29 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 (4 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-20070244198-A1 Carboxylic Derivatives GPR119, CPT1A, PC ALDH1A1 323/4885HTT 3936/4885RAB9A 2041/4885
US-20050148656-A1 3-(amino-oxo(alkyl, alkyloxy and alkylthio)phenyl) propanoic and propenoic acid derivatives; peroxisome proliferator-activated receptors agonists; dyslipidemias with or without insulin resisitance and associated metabolic disorders (metabolic syndrome) including obesity, hypertension, type 2 diabetes GPR119, PPARA, PPARG ALDH1A1 1343/4885HTT 4094/4885RAB9A 2433/4885
US-20060258866-A1 Carboxylic derivates GPR119, PC, CPT1A ALDH1A1 230/4885HTT 3674/4885RAB9A 2015/4885
US-20050282822-A1 Therapeutic agents GPR119, LIPC, PNLIP ALDH1A1 1921/4885HTT 3393/4885RAB9A 1893/4885

“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.