SCHEMBL1394191

SCHEMBL1394191

Cc1cc(CN2CCN(C)CC2)ccc1O

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
ESR1 P03372 1/20 0.52
ESR2 Q92731 1/20 0.52
MC4R P32245 1/20 0.51
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 2/20 0.51
MAPT P10636 2/20 0.51
CHKA P35790 4/20 0.50
HDAC6 Q9UBN7 1/20 0.48
CA2 P00918 1/20 0.47
NCF1 P14598 1/20 0.47
PRMT6 Q96LA8 1/20 0.47
HTT P42858 1/20 0.47
HSP90AA1 P07900 1/20 0.46
HSP90AB1 P08238 1/20 0.46
DBH P09172 1/20 0.46
HDAC1 Q13547 1/20 0.45

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
SCHEMBL13886163 0.88 ESR1 (0.53) LMNAESR1ESR2ALDH1A1KDM4E
SCHEMBL12658239 0.86 LMNA (0.56) LMNAMC4RALDH1A1KDM4EMAPT
SCHEMBL3381044 0.86 ESR1 (0.55) ESR1ESR2ALDH1A1KDM4ENCF1
SCHEMBL4146260 0.85 HRH3 (0.57) ESR1ESR2ALDH1A1KDM4EHTT
SCHEMBL14609609 0.84 LMNA (0.58) LMNAMC4RALDH1A1KDM4EMAPT
SCHEMBL321512 0.82 HRH3 (0.54) ESR1ESR2MAPTNCF1HTT
SCHEMBL15495062 0.82 CHKA (0.58) LMNAMC4RALDH1A1KDM4EMAPT
SCHEMBL19111201 0.81 LMNA (0.50) LMNAMC4RALDH1A1KDM4EMAPT
SCHEMBL16178546 0.80 LMNA (0.62) LMNAMC4RALDH1A1KDM4EMAPT
SCHEMBL2927003 0.80 LMNA (0.53) LMNAMC4RALDH1A1KDM4EMAPT

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
CN-103209979-B therapeutic agent 976 ASTRAZENECA AB (SE) 2016-02-10 CN disclosed
EP-2590969-B1 Therapeutic agents 976 ASTRAZENECA AB (SE) 2014-10-15 EP disclosed
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
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
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
CN-103209979-A Therapeutic agent 976 ASTRAZENECA AB 2013-07-17 CN 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
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
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 LMNA 2005/4885ESR1 1380/4885ESR2 907/4885

“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.