SCHEMBL31435474

SCHEMBL31435474

O=C(O)C1CC(c2ccccc2)CN(C(=O)O)C1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.57
AKR1C1 Q04828 1/20 0.57
RAB9A P51151 6/20 0.43
NPC1 O15118 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
TP53 P04637 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
GRIN2B Q13224 1/20 0.43
HDAC2 Q92769 1/20 0.42
MAPT P10636 2/20 0.41
ATM Q13315 1/20 0.41
HPGD P15428 1/20 0.41
F2R P25116 1/20 0.40
HSD11B1 P28845 1/20 0.40
USP30 Q70CQ3 1/20 0.40
NPC1L1 Q9UHC9 1/20 0.40

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
SCHEMBL31611130 0.87 AKR1C3 (0.46) AKR1C3AKR1C1RAB9ANPC1SMN1; SMN2
SCHEMBL31703460 0.84 RAB9A (0.51) AKR1C3AKR1C1RAB9ANPC1SMN1; SMN2
SCHEMBL23303179 0.81 RAB9A (0.44) AKR1C3AKR1C1RAB9ANPC1SMN1; SMN2
SCHEMBL23303176 0.81 RAB9A (0.44) AKR1C3AKR1C1RAB9ANPC1SMN1; SMN2
SCHEMBL9985818 0.80 RAB9A (0.43) AKR1C3AKR1C1RAB9ANPC1SMN1; SMN2
SCHEMBL23932469 0.80 AKR1C3 (0.57) AKR1C3AKR1C1RAB9ANPC1
SCHEMBL156662 0.80 RORC (0.51) AKR1C3AKR1C1TP53MAPTUSP30
SCHEMBL27266752 0.80 AKR1C3 (0.47) AKR1C3AKR1C1ALDH1A1POLBF2R
SCHEMBL11665023 0.78 AKR1C3 (0.74) AKR1C3AKR1C1RAB9ANPC1GRIN2B
SCHEMBL7388336 0.78 AKR1C3 (0.74) AKR1C3AKR1C1RAB9ANPC1GRIN2B

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-20250179103-A1 6-OXODECAHYDROPYRROLO[1,2-A][1,5]DIAZOCINE AND 6-OXODECAHYDRO-4H-PYRROLO[2,1-D][1,5]THIAZOCINE DERIVATIVES AS STAT3 AND STAT6 MODULATORS FOR THE TREATMENT OF CANCER AND INFLAMMATORY CONDITIONS RECLUDIX PHARMA, INC. 2025-06-05 US disclosed
CN-119301127-A 6-Oxo-decahydro pyrrolo [1,2-a ] [1,5] diazocine and 6-oxo-decahydro-4H-pyrrolo [2,1-d ] [1,5] thiaazacine derivatives as modulators of STAT3 and STAT6 for the treatment of cancer and inflammatory conditions 瑞克鲁迪克斯制药股份有限公司 2025-01-10 CN 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-20250179103-A1 6-OXODECAHYDROPYRROLO[1,2-A][1,5]DIAZOCINE AND 6-OXODECAHYDRO-4H-PYRROLO[2,1-D][1,5]THIAZOCINE DERIVATIVES AS STAT3 AND STAT6 MODULATORS FOR THE TREATMENT OF CANCER AND INFLAMMATORY CONDITIONS STAT6, STAT3, STAT1 AKR1C3 2256/4885AKR1C1 1429/4885RAB9A 3546/4885

“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.