SCHEMBL4295684

SCHEMBL4295684

CCCCCCCCCCCCCCCCn1c(SCC(=O)OC)nc2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.69
ALDH1A1 P00352 3/20 0.62
NPC1 O15118 1/20 0.61
HSD17B10 Q99714 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
PTGDR2 Q9Y5Y4 3/20 0.57
NPSR1 Q6W5P4 1/20 0.56
SAE1 Q9UBE0 1/20 0.56
UBA2 Q9UBT2 1/20 0.56
MAPT P10636 1/20 0.55
HPGD P15428 1/20 0.53
APOBEC3G Q9HC16 1/20 0.53
RAB9A P51151 1/20 0.53
POLB P06746 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
CTDSP1 Q9GZU7 1/20 0.53
TLR8 Q9NR97 1/20 0.52

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
SCHEMBL4296199 0.87 L3MBTL1 (0.91) L3MBTL1ALDH1A1SMN1; SMN2PTGDR2NPSR1
SCHEMBL13610932 0.84 ALDH1A1 (0.81) L3MBTL1ALDH1A1SMN1; SMN2PTGDR2NPSR1
SCHEMBL8229849 0.80 ALDH1A1 (0.64) ALDH1A1NPC1HSD17B10NPSR1MAPT
SCHEMBL28410236 0.73 ALDH1A1 (0.71) ALDH1A1NPC1SMN1; SMN2NPSR1SAE1
SCHEMBL5120272 0.73 PTGDR2 (1.00) L3MBTL1PTGDR2POLB
SCHEMBL5115401 0.73 PTGDR2 (1.00) L3MBTL1PTGDR2POLB
SCHEMBL540948 0.72 FAAH (0.57) ALDH1A1NPC1HSD17B10SMN1; SMN2PTGDR2
SCHEMBL10834022 0.72 TLR8 (0.68) ALDH1A1SMN1; SMN2NPSR1SAE1UBA2
SCHEMBL28373626 0.72 TLR8 (0.64) ALDH1A1SMN1; SMN2NPSR1SAE1UBA2
SCHEMBL28378368 0.72 TLR8 (0.64) ALDH1A1SMN1; SMN2NPSR1SAE1UBA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090280106-A1 Pituitary adenylate cyclase acivating peptide (pacap) receptor (vpac2) agonists and their pharmacological methods of use BAYER PHARMACEUTICALS CORPORATION (US) 2009-11-12 US disclosed
US-20090280106-A1 Pituitary adenylate cyclase acivating peptide (pacap) receptor (vpac2) agonists and their pharmacological methods of use BAYER PHARMACEUTICALS CORPORATION (US) 2009-11-12 US disclosed
US-20090280106-A1 Pituitary adenylate cyclase acivating peptide (pacap) receptor (vpac2) agonists and their pharmacological methods of use BAYER PHARMACEUTICALS CORPORATION (US) 2009-11-12 US disclosed
EP-1896048-A2 PITUITARY ADENYLATE CYCLASE ACTIVATING PEPTIDE (PACAP) RECEPTOR (VPAC2) AGONISTS AND THEIR PHARMACOLOGICAL METHODS OF USE Bayer Pharmaceuticals Corporation (US) 2008-03-12 EP disclosed
EP-1883419-A2 GLUCAGON-LIKE PEPTIDE 1 (GLP-1) RECEPTOR AGONISTS AND THEIR PHARMACOLOGICAL METHODS OF USE Bayer Pharmaceuticals Corporation (US) 2008-02-06 EP disclosed
WO-2006121588-A2 PITUITARY ADENYLATE CYCLASE ACTIVATING PEPTIDE (PACAP) RECEPTOR (VPAC2) AGONISTS AND THEIR PHARMACOLOGICAL METHODS OF USE BAYER PHARMACEUTICALS CORPORATION (US) 2006-11-16 WO disclosed
WO-2006121904-A1 GLUCOSE-DEPENDENT INSULINOTROPIC POLYPEPTIDE (GIP) RECEPTOR AGONISTS AND THEIR PHARMACOLOGICAL METHODS OF USE BAYER PHARMACEUTICALS CORPORATION (US) 2006-11-16 WO disclosed
WO-2006121860-A2 GLUCAGON-LIKE PEPTIDE 1 (GLP-1) RECEPTOR AGONISTS AND THEIR PHARMACOLOGICAL METHODS OF USE BAYER PHARMACEUTICALS CORPORATION (US) 2006-11-16 WO disclosed
WO-2006091506-A2 NEUROPEPTIDE Y4 RECEPTOR AGONISTS BAYER PHARMACEUTICALS CORPORATION (US) 2006-08-31 WO disclosed
WO-2006049681-A2 SELECTIVE NEUROPEPTIDE Y2 RECEPTOR AGONISTS BAYER PHARMACEUTICALS CORPORATION (US) 2006-05-11 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 (1 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-20090280106-A1 Pituitary adenylate cyclase acivating peptide (pacap) receptor (vpac2) agonists and their pharmacological methods of use ADCYAP1R1, VIPR2, ADCY2 L3MBTL1 4358/4885ALDH1A1 2368/4885NPC1 2197/4885

“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.