SCHEMBL581932

SCHEMBL581932

COC(=O)C1CCNC(Cc2ccc(OC(F)(F)F)cc2)C1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.49
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CCNA1 P78396 1/20 0.41
POLB P06746 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
EPHX1 P07099 1/20 0.39
FFAR4 Q5NUL3 1/20 0.38
EPHX2 P34913 4/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KCNN4 O15554 1/20 0.38
PDE2A O00408 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
TRPV1 Q8NER1 1/20 0.37

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
SCHEMBL581990 0.86 CYP3A4 (0.43)
SCHEMBL580826 0.84 PLG (0.50)
SCHEMBL581121 0.82 SMN1; SMN2 (0.42) SMN1; SMN2
SCHEMBL580899 0.82 PLG (0.48) POLBALDH1A1
SCHEMBL27853046 0.81 HTR2C (0.45) HTR2CPOLBFFAR4ALDH1A1
SCHEMBL581181 0.80 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2KCNN4
SCHEMBL581048 0.80 PDE2A (0.37) EPHX2KCNN4PDE2A
SCHEMBL27853045 0.80 HTR2C (0.44) HTR2CCCNA2CDK2CCNA1EPHX1
SCHEMBL582065 0.79 SLC6A4 (0.42) EPHX1ALDH1A1SMN1; SMN2
SCHEMBL581052 0.79 POLB (0.43) POLBALDH1A1SMN1; SMN2

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 4 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
EP-2417131-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS AstraZeneca AB (SE) 2012-02-15 EP disclosed
WO-2010117323-A1 METHOD AND APPARATUS FOR PRODUCING HEAT ENERGY AND CARBON DIOXIDE ASTRAZENECA AB (SE) 2010-10-14 WO 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 HTR2C 305/4885CCNA2 2172/4885CDK2 2034/4885

“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.