SCHEMBL3963137

SCHEMBL3963137

CCCCCCN(CCc1ccccc1)C(=O)CCl

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.74
RAB9A P51151 2/20 0.74
MEN1 O00255 1/20 0.74
KMT2A Q03164 1/20 0.74
TDP1 Q9NUW8 1/20 0.74
JAK2 O60674 1/20 0.59
PAX8 Q06710 1/20 0.59
CA12 O43570 8/20 0.54
CA1 P00915 8/20 0.54
CA2 P00918 8/20 0.54
CA4 P22748 4/20 0.54
KCNH2 Q12809 1/20 0.54
ALDH1A1 P00352 1/20 0.52
TP53 P04637 1/20 0.52
THRA P10827 2/20 0.51
THRB P10828 2/20 0.51
CNR2 P34972 1/20 0.50
DRD2 P14416 1/20 0.49
OPRM1 P35372 1/20 0.49
DRD3 P35462 1/20 0.49

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
SCHEMBL27707699 0.86 KCNH2 (0.57) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL9514138 0.85 NPC1 (0.62) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL27288572 0.83 NPC1 (0.81) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL8507639 0.82 KCNH2 (0.56) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL11135720 0.82 KCNH2 (0.60) CA12CA1CA2CA4KCNH2
SCHEMBL2188415 0.82 KCNH2 (0.55) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL9864401 0.81 NPC1 (0.53) NPC1RAB9AJAK2PAX8CA12
SCHEMBL28696417 0.81 NPC1 (0.53) NPC1RAB9AJAK2PAX8CA12
SCHEMBL28684383 0.81 NPC1 (0.53) NPC1RAB9AJAK2PAX8CA12
SCHEMBL10181457 0.81 NPC1 (0.53) NPC1RAB9AJAK2PAX8CA12

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 NPC1 59/4885RAB9A 2041/4885MEN1 3054/4885
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 NPC1 845/4885RAB9A 2433/4885MEN1 4633/4885
US-20060258866-A1 Carboxylic derivates GPR119, PC, CPT1A NPC1 130/4885RAB9A 2015/4885MEN1 2619/4885
US-20050282822-A1 Therapeutic agents GPR119, LIPC, PNLIP NPC1 14/4885RAB9A 1893/4885MEN1 2350/4885

“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.