SCHEMBL23525267

SCHEMBL23525267

CC1(C)CN(C(=O)OCc2ccc([N+](=O)[O-])cc2)CCC1CO

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ LMNA P02545 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ GRIN2B Q13224 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ HTR2A P28223 1/20 0.42
▸ GBA1 P04062 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ HPGD P15428 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
SCHEMBL23199272 1.00 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2LMNAMAPTGRIN2B
SCHEMBL23199385 0.83 MAPT (0.45) ALDH1A1SMN1; SMN2LMNAMAPTKMT2A
SCHEMBL10639422 0.82 TPSAB1 (0.50) ALDH1A1SMN1; SMN2LMNAMAPTGRIN2B
SCHEMBL12912355 0.80 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2LMNAMAPTGRIN2B
SCHEMBL5724018 0.79 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2LMNAMAPTKMT2A
SCHEMBL10817215 0.79 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2LMNAMAPTGRIN2B
SCHEMBL13713047 0.78 SMN1; SMN2 (0.54) ALDH1A1SMN1; SMN2LMNAMAPTGRIN2B
SCHEMBL5724109 0.78 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2LMNAMAPTKMT2A
SCHEMBL6401181 0.78 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2LMNAMAPTKMT2A
SCHEMBL10639271 0.78 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2LMNAMAPTKMT2A

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 3 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
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 ALDH1A1 3603/4885SMN1; SMN2 2268/4885LMNA 1640/4885
US-12084445-B2 Broad-spectrum carbapenems MGAM, ALPI, SI ALDH1A1 3603/4885SMN1; SMN2 2268/4885LMNA 1640/4885

“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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