SCHEMBL4297175

SCHEMBL4297175

CCOC(=O)c1nc(Br)sc1C(C)C

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
CYP1A2 P05177 2/20 0.46
GAA P10253 2/20 0.41
TARBP2 Q15633 1/20 0.40
HPGD P15428 3/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SLC5A1 P13866 1/20 0.38
SLC5A2 P31639 1/20 0.38
DHODH Q02127 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL1431368 0.85 ALDH1A1 (0.47) ALDH1A1CYP1A2GAAHPGDMAPT
SCHEMBL4296900 0.83 ALDH1A1 (0.45) ALDH1A1CYP1A2GAAHPGDMAPT
SCHEMBL2082444 0.83 ALDH1A1 (0.65) ALDH1A1CYP1A2GAAHPGDMAPT
SCHEMBL6284882 0.81 NPSR1 (0.47) ALDH1A1HPGDMAPTSMN1; SMN2LMNA
SCHEMBL1431975 0.80 ALDH1A1 (0.43) ALDH1A1CYP1A2GAAHPGDMAPT
SCHEMBL299269 0.80 GAA (0.56) ALDH1A1CYP1A2GAATARBP2HPGD
SCHEMBL8726638 0.80 ALDH1A1 (0.51) ALDH1A1CYP1A2GAATARBP2HPGD
SCHEMBL1430707 0.79 ALDH1A1 (0.42) ALDH1A1CYP1A2GAATARBP2HPGD
SCHEMBL1919483 0.78 ALDH1A1 (0.68) ALDH1A1CYP1A2GAAHPGDMAPT
SCHEMBL28395679 0.77 MEN1 (0.41) ALDH1A1CYP1A2GAAHPGDMAPT

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 11 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
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 ALDH1A1 2368/4885CYP1A2 2466/4885GAA 1992/4885

“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.