SCHEMBL23199385

SCHEMBL23199385

COC(=O)C1CCN(C(=O)OCc2ccc([N+](=O)[O-])cc2)CC1(C)C

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.45
▸ ALDH1A1 P00352 5/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ HPGD P15428 1/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ HTT P42858 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ TDP1 Q9NUW8 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
SCHEMBL27484676 0.84 MAPT (0.61) MAPTALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL23199272 0.83 ALDH1A1 (0.44) MAPTALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL23525267 0.83 ALDH1A1 (0.44) MAPTALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL12912355 0.79 ALDH1A1 (0.56) MAPTALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL2771120 0.78 MAPT (0.50) MAPTALDH1A1HPGDGAAHTT
SCHEMBL5724018 0.77 SMN1; SMN2 (0.51) MAPTALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL13713047 0.77 SMN1; SMN2 (0.54) MAPTALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL5724109 0.76 SMN1; SMN2 (0.51) MAPTALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL10639271 0.76 SMN1; SMN2 (0.50) MAPTALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL6401181 0.76 SMN1; SMN2 (0.50) MAPTALDH1A1SMN1; SMN2LMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12084445-B2 Broad-spectrum carbapenems VenatoRx Pharmaceuticals, Inc. (US) 2024-09-10 — — US disclosed
US-20210188851-A1 BROAD-SPECTRUM CARBAPENEMS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-06-24 — — US disclosed
EP-3802538-A1 BROAD-SPECTRUM CARBAPENEMS Venatorx Pharmaceuticals, Inc. (US) 2021-04-14 — — EP disclosed
CN-112513043-A Broad spectrum carbapenems 维纳拓尔斯制药公司 2021-03-16 — — 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 (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-20210188851-A1 BROAD-SPECTRUM CARBAPENEMS MGAM, ALPI, SI MAPT 3803/4885ALDH1A1 3603/4885SMN1; SMN2 2268/4885
US-12084445-B2 Broad-spectrum carbapenems MGAM, ALPI, SI MAPT 3803/4885ALDH1A1 3603/4885SMN1; SMN2 2268/4885

“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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