SCHEMBL20598448

SCHEMBL20598448

C[C@@H]1CN(C(=O)c2ccccc2)C[C@]2(CCCN(C(=O)OC(C)(C)C)CC2)O1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ ABL1 P00519 1/20 0.42
▸ RIN1 Q13671 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ SCD5 Q86SK9 1/20 0.41
▸ USP30 Q70CQ3 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ GPR119 Q8TDV5 2/20 0.40
▸ MGLL Q99685 2/20 0.40
▸ NPC1L1 Q9UHC9 2/20 0.39
▸ HPGDS O60760 2/20 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
SCHEMBL18785081 1.00 MEN1 (0.47) MEN1KMT2AABL1RIN1KDM4E
SCHEMBL20598279 1.00 MEN1 (0.47) MEN1KMT2AABL1RIN1KDM4E
SCHEMBL18785083 1.00 MEN1 (0.47) MEN1KMT2AABL1RIN1KDM4E
SCHEMBL17328224 0.96 KMT2A (0.46) MEN1KMT2AKDM4EPKMSCD5
SCHEMBL18785466 0.85 MEN1 (0.49) MEN1KMT2AABL1RIN1KDM4E
SCHEMBL20598278 0.85 CYP2D6 (0.47) ALDH1A1GPR119MGLL
SCHEMBL20598276 0.85 CYP2D6 (0.47) ALDH1A1GPR119MGLL
SCHEMBL19107365 0.85 MAPK1 (0.46) MEN1KMT2AALDH1A1HPGD
SCHEMBL20598617 0.85 CYP2D6 (0.47) ALDH1A1GPR119MGLL
SCHEMBL18785463 0.85 CYP2D6 (0.47) ALDH1A1GPR119MGLL

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-10689398-B2 OXA-Diazaspiro compounds having activity against pain ESTEVE PHARMACEUTICALS, S.A. (ES) 2020-06-23 — — US disclosed
US-20190002475-A1 OXA-DIAZASPIRO COMPOUNDS HAVING ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2019-01-03 — — 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 (2 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-10689398-B2 OXA-Diazaspiro compounds having activity against pain OPRD1, SIGMAR1, OPRK1 MEN1 4855/4885KMT2A 4584/4885ABL1 3830/4885
US-20190002475-A1 OXA-DIAZASPIRO COMPOUNDS HAVING ACTIVITY AGAINST PAIN OPRD1, SIGMAR1, OPRK1 MEN1 4855/4885KMT2A 4584/4885ABL1 3830/4885

“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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