SCHEMBL581731

SCHEMBL581731

COC(=O)N1CCC(C(=O)O)CC1Cc1cc(F)cc(F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 1/20 0.36
▸ PSEN2 P49810 1/20 0.36
▸ APH1B Q8WW43 1/20 0.36
▸ NCSTN Q92542 1/20 0.36
▸ APH1A Q96BI3 1/20 0.36
▸ PSENEN Q9NZ42 1/20 0.36
▸ HCRTR2 O43614 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.35
▸ TACR1 P25103 4/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ BRD4 O60885 2/20 0.34
▸ CREBBP Q92793 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 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
SCHEMBL587405 0.91 OPRK1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL581312 0.90 TACR1 (0.43) TACR1ALDH1A1MAPTCYP3A4CYP2D6
SCHEMBL581620 0.89 TACR1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL582162 0.89 KMT2A (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL580834 0.88 NOTUM (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL587768 0.86 NOTUM (0.37) HDAC6TACR1OPRK1SIGMAR1NOTUM
SCHEMBL581092 0.85 ALDH1A1 (0.44) OPRK1SIGMAR1BRD4CREBBPRAB9A
SCHEMBL580852 0.84 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3085316 0.84 CHRM1 (0.38) HCRTR2HDAC6TACR1SMN1; SMN2ALDH1A1
SCHEMBL3069035 0.84 CHRM1 (0.38) HCRTR2HDAC6TACR1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102459246-B Isoxazol-3 (2H) -one analogs as therapeutic agents ASTRAZENECA AB 2014-05-07 — — CN disclosed
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 PSEN1 4680/4885PSEN2 4690/4885APH1B 4877/4885

“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.

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