SCHEMBL326617

SCHEMBL326617

Cc1cc(OC2CN(C(=O)O)C2)ccc1CN1CCC(C)(CO)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 9/20 0.47
PLA2G1B P04054 1/20 0.42
POLB P06746 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
S1PR1 P21453 3/20 0.41
S1PR5 Q9H228 3/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.39
KCNH2 Q12809 2/20 0.39
PDGFRA P16234 1/20 0.39
ROCK1 Q13464 1/20 0.39
MLNR O43193 4/20 0.38
PRKD3 O94806 1/20 0.36
CDK7 P50613 1/20 0.36
JAK3 P52333 1/20 0.36
TNK2 Q07912 1/20 0.36
GRIN2B Q13224 1/20 0.36

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
SCHEMBL10190239 0.88 MCHR1 (0.43) MCHR1PLA2G1BPOLBATG4BS1PR1
SCHEMBL327553 0.83 PLA2G1B (0.40) MCHR1PLA2G1BPOLBATG4BS1PR1
SCHEMBL326652 0.82 MCHR1 (0.73) MCHR1KCNH2
SCHEMBL326650 0.80 MCHR1 (0.68) MCHR1KCNH2
SCHEMBL27933366 0.78 ALDH1A1 (0.39) POLBS1PR1S1PR5KMT2AMEN1
SCHEMBL327662 0.74 MCHR1 (0.61) MCHR1PLA2G1BPOLBATG4BS1PR1
SCHEMBL10264221 0.74 MCHR1 (0.41) MCHR1PLA2G1BPOLBATG4BKMT2A
SCHEMBL321217 0.73 ADRB2 (0.56) MCHR1PLA2G1BPOLBATG4BS1PR1
SCHEMBL327335 0.72 MCHR1 (0.67) MCHR1POLBS1PR1S1PR5KMT2A
SCHEMBL321618 0.71 MCHR1 (0.68) MCHR1POLBKMT2AMEN1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2590969-B1 Therapeutic agents 976 ASTRAZENECA AB (SE) 2014-10-15 EP disclosed
US-8546375-B2 (3-(4-(aminomethyl)phenoxy or phenylthio)azetidin-1-yl)(5-phenyl-1,3,4-oxadiazol-2-yl)methanone compounds ASTRAZENECA AB (SE) 2013-10-01 US disclosed
EP-2590969-A2 THERAPEUTIC AGENTS 976 AstraZeneca AB (SE) 2013-05-15 EP disclosed
WO-2012004588-A2 THERAPEUTIC AGENTS 976 ASTRAZENECA AB (SE) 2012-01-12 WO disclosed
US-20120010189-A1 (3-(4-(AMINOMETHYL)PHENOXY OR PHENYLTHIO)AZETIDIN-1-YL)(5-PHENYL-1,3,4-OXADIAZOL-2-YL)METHANONE COMPOUNDS ASTRAZENECA AB (SE) 2012-01-12 US 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-20120010189-A1 (3-(4-(AMINOMETHYL)PHENOXY OR PHENYLTHIO)AZETIDIN-1-YL)(5-PHENYL-1,3,4-OXADIAZOL-2-YL)METHANONE COMPOUNDS TYR, MC2R, MC1R MCHR1 9/4885PLA2G1B 3791/4885POLB 2885/4885

“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.