SCHEMBL3076567

SCHEMBL3076567

COC(=O)N1CCC(=O)CC1Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.44
KCNH2 Q12809 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
OPRD1 P41143 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
P2RX7 Q99572 1/20 0.39
TRPM8 Q7Z2W7 2/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPK8 P45983 1/20 0.38
MAPK10 P53779 1/20 0.38
OPRK1 P41145 1/20 0.38
PPARG P37231 1/20 0.38

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
SCHEMBL7684256 0.81 TACR1 (0.55) KMT2AOPRD1CYP3A4CYP2C19OPRK1
SCHEMBL582398 0.79 TACR1 (0.39) KCNH2HRH3P2RX7KDM4E
SCHEMBL15358971 0.78 CCR3 (0.44) KMT2AOPRK1
SCHEMBL586823 0.77 TACR1 (0.44) KMT2AKCNH2HRH3CYP3A4KDM4E
SCHEMBL581526 0.77 TACR1 (0.46) KMT2AKCNH2HRH3OPRD1CYP3A4
SCHEMBL581783 0.77 TACR1 (0.46) KMT2AKCNH2HRH3OPRD1CYP3A4
SCHEMBL581527 0.77 TACR1 (0.46) KMT2AKCNH2HRH3OPRD1CYP3A4
SCHEMBL581282 0.77 TACR1 (0.46) KMT2AKCNH2HRH3OPRD1CYP3A4
SCHEMBL18720923 0.76 PPARG (0.43) KMT2AKDM4EOPRK1PPARG
SCHEMBL27852924 0.76 AKR1B10 (0.37) KCNH2HRH3OPRD1KDM4EPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8415378-B2 Isoxazol-3(2H)-one analogs as therapeutic agents ASTRAZENECA AB (SE) 2013-04-09 US disclosed
US-20100261755-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2010-10-14 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-20100261755-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS NR4A3, CBR3, OXER1 KMT2A 3820/4885KCNH2 1302/4885HRH3 394/4885

“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.