SCHEMBL3085403

SCHEMBL3085403

CCOC(=O)CC(=O)[C@H]1CCN(C(=O)OC)[C@H](c2ccc(C(F)(F)F)nc2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.35
FPR1 P21462 1/20 0.35
FPR2 P25090 1/20 0.35
PSEN1 P49768 8/20 0.35
PSEN2 P49810 8/20 0.35
APH1B Q8WW43 8/20 0.35
NCSTN Q92542 8/20 0.35
APH1A Q96BI3 8/20 0.35
PSENEN Q9NZ42 8/20 0.35
EPHX2 P34913 1/20 0.35
KCNQ3 O43525 1/20 0.35
KCNQ2 O43526 1/20 0.35
KCNQ4 P56696 1/20 0.35
KCNQ5 Q9NR82 1/20 0.35
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LIPE Q05469 1/20 0.34
SSTR4 P31391 1/20 0.34

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
SCHEMBL581198 1.00 HRH3 (0.37) HRH3TRPM8FPR1FPR2PSEN1
SCHEMBL3075597 1.00 HRH3 (0.37) HRH3TRPM8FPR1FPR2PSEN1
SCHEMBL582599 0.97 HRH3 (0.35) HRH3TRPM8FPR1FPR2PSEN1
SCHEMBL582600 0.97 HRH3 (0.35) HRH3TRPM8FPR1FPR2PSEN1
SCHEMBL3075881 0.86 ALDH1A1 (0.39) HPGDSMN1; SMN2ALDH1A1
SCHEMBL3081049 0.86 ALDH1A1 (0.39) HPGDSMN1; SMN2ALDH1A1
SCHEMBL581482 0.86 ALDH1A1 (0.39) HPGDSMN1; SMN2ALDH1A1
SCHEMBL581335 0.85 HRH3 (0.41) HRH3TRPM8FPR1FPR2PSEN1
SCHEMBL586566 0.85 HRH3 (0.41) HRH3TRPM8FPR1FPR2PSEN1
SCHEMBL3075467 0.83 KMT2A (0.43) ALDH1A1

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 HRH3 394/4885TRPM8 2189/4885FPR1 763/4885

“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.