SCHEMBL322400

SCHEMBL322400

Cc1cc(CN2CCN(C)CC2)ccc1OC1CN(C(=O)O)C1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 1/20 0.47
MCHR1 Q99705 4/20 0.46
KCNH2 Q12809 2/20 0.46
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FAAH O00519 2/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
HDAC6 Q9UBN7 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
MC4R P32245 1/20 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
SCHEMBL16161556 0.91 KCNH2 (0.46) UTS2RMCHR1KCNH2CRHBPCRHR2
SCHEMBL10190043 0.86 UTS2R (0.44) UTS2RMCHR1KCNH2CRHBPCRHR2
SCHEMBL320844 0.81 MCHR1 (0.75) MCHR1KCNH2
SCHEMBL325939 0.80 MCHR1 (0.48) UTS2RMCHR1KCNH2FAAHCD274
SCHEMBL1394218 0.80 CRHBP (0.47) UTS2RCRHBPCRHR2SMN1; SMN2MC4R
SCHEMBL321107 0.79 MCHR1 (0.65) MCHR1KCNH2
SCHEMBL10263931 0.79 MCHR1 (0.64) MCHR1KCNH2
SCHEMBL325996 0.78 MCHR1 (0.71) MCHR1KCNH2
Formic Acid SCHEMBL320885 0.77 MCHR1 (0.61) UTS2RMCHR1KCNH2PPARA
SCHEMBL322856 0.77 PDE4B (0.45) UTS2RMCHR1KCNH2CRHBPCRHR2

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 UTS2R 1653/4885MCHR1 9/4885KCNH2 1628/4885

“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.