SCHEMBL3967969

SCHEMBL3967969

COc1ccccc1CN(Cc1ccc(Cl)cc1)C(=O)CCl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
ALDH1A1 P00352 6/20 0.50
HTT P42858 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
KDM4E B2RXH2 2/20 0.50
RAB9A P51151 2/20 0.50
MITF O75030 1/20 0.48
CNR1 P21554 1/20 0.47
ACHE P22303 2/20 0.46
BCHE P06276 1/20 0.46
TSPO P30536 1/20 0.46
TSHR P16473 1/20 0.45
TAS2R14 Q9NYV8 1/20 0.45
YAP1 P46937 1/20 0.44
TEAD4 Q15561 1/20 0.44
TEAD2 Q15562 1/20 0.44
NPC1 O15118 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 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
SCHEMBL3963003 0.80 ALDH1A1 (0.68) ALDH1A1HTTMEN1KMT2AKDM4E
SCHEMBL5136868 0.79 KDM4E (0.45) GAAALDH1A1MEN1KMT2AKDM4E
SCHEMBL3967449 0.75 PPARA (0.48)
SCHEMBL3963919 0.74 ALDH1A1 (0.59) ALDH1A1HTTMEN1KMT2AKDM4E
SCHEMBL8668061 0.74 NPC1 (0.53) ALDH1A1HTTMEN1KMT2ARAB9A
SCHEMBL8671700 0.73 RAB9A (0.49) ALDH1A1HTTMEN1KMT2ARAB9A
SCHEMBL11329375 0.73 ACHE (0.55) GAAHTTMEN1KMT2AACHE
SCHEMBL3964939 0.72 RAB9A (0.58) ALDH1A1HTTMEN1KMT2ARAB9A
SCHEMBL10845902 0.72 MTNR1A (0.47) GAAALDH1A1MEN1KMT2AKDM4E
SCHEMBL3541317 0.72 HPGD (0.50) ALDH1A1HTTMEN1KMT2ARAB9A

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-1675820-A2 PROPIONIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF LIPID DISORDERS AstraZeneca AB (SE) 2006-07-05 EP disclosed
EP-1676833-A1 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 GAA 299/4885ALDH1A1 323/4885HTT 3936/4885
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 GAA 2906/4885ALDH1A1 1343/4885HTT 4094/4885
US-20060258866-A1 Carboxylic derivates GPR119, PC, CPT1A GAA 297/4885ALDH1A1 230/4885HTT 3674/4885
US-20050282822-A1 Therapeutic agents GPR119, LIPC, PNLIP GAA 100/4885ALDH1A1 1921/4885HTT 3393/4885

“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.