SCHEMBL321890

SCHEMBL321890

CC(=O)N1CCN(Cc2ccc(O)cc2)CC1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.78
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
ATM Q13315 1/20 0.64
RORC P51449 1/20 0.58
CYP2D6 P10635 1/20 0.55
CA12 O43570 1/20 0.55
CA2 P00918 1/20 0.55
CA9 Q16790 1/20 0.55
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
TSHR P16473 1/20 0.52
LTA4H P09960 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
CHRM1 P11229 1/20 0.51
HTR2A P28223 1/20 0.51
MCHR1 Q99705 1/20 0.51
ALDH1A1 P00352 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL12642716 0.94 HRH3 (0.71) HRH3MEN1KMT2AATMRORC
SCHEMBL8122521 0.86 HRH3 (0.78) HRH3MEN1KMT2AATMRORC
SCHEMBL3239820 0.86 HRH3 (0.78) HRH3MEN1KMT2AATMRORC
SCHEMBL29056068 0.86 HRH3 (0.78) HRH3MEN1KMT2AATMRORC
SCHEMBL12642507 0.86 CYP2D6 (0.76) HRH3MEN1KMT2ACYP2D6CYP1A2
SCHEMBL1481137 0.85 HRH3 (0.76) HRH3MEN1KMT2AATMRORC
SCHEMBL7475322 0.85 HRH3 (0.76) HRH3MEN1KMT2AATMRORC
Hydrochloric Acid SCHEMBL7599251 0.85 HRH3 (0.88) HRH3MEN1KMT2AATMRORC
SCHEMBL1927730 0.85 HRH3 (0.76) HRH3MEN1KMT2AATMRORC
SCHEMBL3916831 0.85 HRH3 (0.76) HRH3MEN1KMT2AATMRORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3394056-B1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC (US) 2021-04-14 EP disclosed
WO-2017112777-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC (US) 2017-06-29 WO 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
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
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-4391805-A FUNGICIDES, ANTIPROTOZOA AGENTS, BACTERICIDWS HOECHST AKTIENGESELLSCHAFT (DE) 1983-07-05 US disclosed
EP-0050298-A2 1-(1,3-Dioxolan-2-ylmethyl) azoles, process for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1982-04-28 EP 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 HRH3 1667/4885MEN1 101/4885KMT2A 2009/4885

“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.