SCHEMBL327602

SCHEMBL327602

CN1CCN(Cc2ccc(O)cc2F)CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HTR6 P50406 2/20 0.48
NR1H2 P55055 1/20 0.48
ABCB1 P08183 1/20 0.46
MPO P05164 1/20 0.46
ALDH1A1 P00352 5/20 0.46
POLB P06746 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GAA P10253 2/20 0.43
MAPT P10636 2/20 0.43
CHKA P35790 2/20 0.43
GLA P06280 1/20 0.43
HPGD P15428 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MC4R P32245 1/20 0.42

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
SCHEMBL1395268 0.85 KDM4E (0.67) KDM4ESMN1; SMN2ABCB1ALDH1A1
SCHEMBL10819382 0.83 KDM4E (0.70) KDM4ESMN1; SMN2HTR6NR1H2MPO
SCHEMBL4269129 0.82 KDM4E (0.47) KDM4ESMN1; SMN2HTR6NR1H2ALDH1A1
SCHEMBL14924465 0.82 KDM4E (0.50) KDM4ESMN1; SMN2HTR6NR1H2MPO
SCHEMBL23235219 0.81 CYP2C9 (0.62) KDM4ESMN1; SMN2ALDH1A1POLBTDP1
SCHEMBL18753928 0.81 KDM4E (0.64) KDM4ESMN1; SMN2HTR6ALDH1A1POLB
SCHEMBL20680180 0.81 HTR6 (0.49) KDM4ESMN1; SMN2HTR6NR1H2MPO
SCHEMBL15545229 0.81 KDM4E (0.49) KDM4ESMN1; SMN2HTR6NR1H2MPO
SCHEMBL15542251 0.81 NR1H2 (0.67) KDM4ESMN1; SMN2NR1H2MPOALDH1A1
SCHEMBL30830470 0.81 CYP2C9 (0.62) KDM4ESMN1; SMN2ALDH1A1POLBTDP1

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 13 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
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
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 KDM4E 453/4885SMN1; SMN2 1767/4885HTR6 89/4885

“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.