SCHEMBL4290857

SCHEMBL4290857

CCOC(=O)c1cncnc1NCCSC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.47
AGTR2 P50052 1/20 0.47
POLB P06746 1/20 0.41
ALDH1A1 P00352 8/20 0.41
RAB9A P51151 4/20 0.40
NPSR1 Q6W5P4 3/20 0.40
TSHR P16473 3/20 0.40
LMNA P02545 3/20 0.40
TP53 P04637 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPK1 P28482 2/20 0.40
ALOX15 P16050 1/20 0.40
PPP1CA P62136 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
MAPT P10636 4/20 0.40
NPC1 O15118 3/20 0.40

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
SCHEMBL4297412 0.86 AGTR1 (0.42) AGTR1AGTR2TSHRKDM4EALOX15
SCHEMBL4295739 0.85 HTT (0.56) ALDH1A1RAB9ANPSR1TSHRLMNA
SCHEMBL4301697 0.85 AGTR1 (0.41) AGTR1AGTR2TSHRKDM4EALOX15
Lithium Ion SCHEMBL4301692 0.83 SIRT2 (0.39) AGTR1AGTR2TSHRKDM4EALOX15
SCHEMBL11584012 0.75 AGTR1 (0.47) AGTR1AGTR2ALDH1A1RAB9ANPSR1
SCHEMBL4756158 0.75 L3MBTL1 (0.46) POLBALDH1A1RAB9ANPSR1LMNA
SCHEMBL13623590 0.74 SIRT2 (0.44) TSHRKDM4EALOX15HSD17B10CYP1A2
SCHEMBL4756161 0.72 MAPK8 (0.44) ALDH1A1TSHRKMT2AHTTKDM4E
SCHEMBL4297348 0.72 SIRT2 (0.49) ALDH1A1RAB9ANPSR1LMNAMEN1
SCHEMBL30504128 0.72 AGTR1 (0.52) AGTR1AGTR2POLBALDH1A1RAB9A

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 9 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
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 AGTR1 188/4885AGTR2 84/4885POLB 4806/4885

“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.