SCHEMBL581154

SCHEMBL581154

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CHIT1 Q13231 2/20 0.43
▸ CHIA Q9BZP6 2/20 0.43
▸ TACR1 P25103 4/20 0.41
▸ MAPT P10636 2/20 0.41
▸ NOTUM Q6P988 1/20 0.41
▸ OPRK1 P41145 2/20 0.41
▸ S1PR5 Q9H228 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ PSEN1 P49768 1/20 0.39
▸ PSEN2 P49810 1/20 0.39
▸ APH1B Q8WW43 1/20 0.39
▸ NCSTN Q92542 1/20 0.39
▸ APH1A Q96BI3 1/20 0.39
▸ PSENEN Q9NZ42 1/20 0.39

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
SCHEMBL586739 0.91 OPRK1 (0.50) CHIT1CHIATACR1MAPTOPRK1
SCHEMBL580852 0.89 PSEN1 (0.49) TACR1MAPTSMN1; SMN2L3MBTL1PSEN1
SCHEMBL580834 0.88 NOTUM (0.41) MAPTNOTUMS1PR5TSHRSMN1; SMN2
SCHEMBL581869 0.86 NOTUM (0.46) CHIT1TACR1MAPTNOTUMS1PR5
SCHEMBL581238 0.86 NPC1 (0.41) TACR1S1PR5SMN1; SMN2PSEN1PSEN2
SCHEMBL27869900 0.86 PSEN1 (0.37) CHIT1CHIATACR1MAPTOPRK1
SCHEMBL581783 0.85 TACR1 (0.46) TACR1MAPTNOTUM
SCHEMBL581282 0.85 TACR1 (0.46) TACR1MAPTNOTUM
SCHEMBL581485 0.85 ALDH1A1 (0.43) TACR1MAPTPSEN1PSEN2APH1B
SCHEMBL581527 0.85 TACR1 (0.46) TACR1MAPTNOTUM

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 CHIT1 3687/4885CHIA 3540/4885TACR1 474/4885

“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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