SCHEMBL2926092

SCHEMBL2926092

O=C1CN(C(=O)OCc2ccc([N+](=O)[O-])cc2)CCN1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ KMT2A Q03164 3/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ DPP8 Q6V1X1 1/20 0.41
▸ DPP9 Q86TI2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ IDO1 P14902 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ HPGD P15428 1/20 0.41

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
SCHEMBL2929441 0.87 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2MAPTLMNAKMT2A
SCHEMBL3039451 0.85 KCNJ1 (0.53) ALDH1A1SMN1; SMN2MAPTLMNAKMT2A
Hydrochloric Acid SCHEMBL5724126 0.84 KCNJ1 (0.52) ALDH1A1SMN1; SMN2MAPTLMNAKMT2A
SCHEMBL92518 0.83 L3MBTL1 (0.56) SMN1; SMN2KMT2ARAB9AL3MBTL1MEN1
SCHEMBL2106013 0.81 CYP1A2 (0.53) —
SCHEMBL4470296 0.81 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2MAPTLMNAKMT2A
SCHEMBL9661798 0.81 KCNJ1 (0.49) ALDH1A1SMN1; SMN2MAPTLMNAKMT2A
SCHEMBL8587397 0.80 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2MAPTLMNAKMT2A
SCHEMBL9519331 0.80 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2MAPTLMNAKMT2A
SCHEMBL3039444 0.80 SMN1; SMN2 (0.52) ALDH1A1SMN1; SMN2MAPTLMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7812014-B2 Bicyclic 6-alkylidene-penems as β-lactamase inhibitors WYETH LLC (US) 2010-10-12 — — US disclosed
EP-1499620-B1 PROCESS FOR PREPARING 6-ALKYLIDENE PENEM DERIVATIVES WYETH CORP (US) 2010-01-27 — — EP disclosed
US-20080312203-A1 Bicyclic 6-Alkylidene-Penems as Beta-Lactamase Inhibitors WYETH (US) 2008-12-18 — — US disclosed
EP-1988093-A1 Bicyclic 6-alkylidene-penems as beta-lactamases inhibitors Wyeth a Corporation of the State of Delaware (US) 2008-11-05 — — EP disclosed
EP-1885357-A1 BICYCLIC 6-ALKYLIDENE-PENEMS AS CLASS-D BETA-LACTAMASES INHIBITORS Wyeth (US) 2008-02-13 — — EP disclosed
US-20060276445-A1 Bicyclic 6-alkylidene-penems as class-D beta-lactamases inhibitors WYETH (US) 2006-12-07 — — US disclosed
WO-2006130588-A1 BICYCLIC 6-ALKYLIDENE-PENEMS AS CLASS-D BETA-LACTAMASES INHIBITORS WYETH (US) 2006-12-07 — — WO disclosed
US-20060217361-A1 Bicyclic 6-alkylidene-penems as beta-lactamase inhibitors WYETH (US) 2006-09-28 — — US disclosed
US-7112582-B2 Bicyclic 6-alkylidene-penems as β-lactamase inhibitors WYETH (US) 2006-09-26 — — US disclosed
EP-1499620-A1 PROCESS FOR PREPARING 6-ALKYLIDENE PENEM DERIVATIVES Wyeth (US) 2005-01-26 — — EP disclosed
EP-1499621-A1 BICYCLIC 6-ALKYLIDENE-PENEMS AS BETA-LACTAMASES INHIBITORS Wyeth (US) 2005-01-26 — — EP disclosed
US-20040132708-A1 Process for preparing 6-alkylidene penem derivatives WYETH 2004-07-08 — — US disclosed
US-20040077622-A1 Bicyclic 5-alkylidene-penems as beta lactamases inhibitors WYETH 2004-04-22 — — US disclosed
US-20040053913-A1 Process for preparing 6-alkylidene penem derivatives WYETH 2004-03-18 — — US disclosed
WO-2003093279-A1 BICYCLIC 6-ALKYLIDENE-PENEMS AS ß-LACTAMASES INHIBITORS WYETH (US) 2003-11-13 — — WO disclosed
WO-2003093277-A1 PROCESS FOR PREPARING 6-ALKYLIDENE PENEM DERIVATIVES WYETH (US) 2003-11-13 — — WO 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 (6 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-20040132708-A1 Process for preparing 6-alkylidene penem derivatives PGM2, BPGM, MRPL21 ALDH1A1 998/4885SMN1; SMN2 1450/4885MAPT 3052/4885
US-20060276445-A1 Bicyclic 6-alkylidene-penems as class-D beta-lactamases inhibitors PEPD, MGAM, PGLS ALDH1A1 1005/4885SMN1; SMN2 3690/4885MAPT 4245/4885
US-20060217361-A1 Bicyclic 6-alkylidene-penems as beta-lactamase inhibitors PGLS, BPGM, B2M ALDH1A1 652/4885SMN1; SMN2 2073/4885MAPT 2460/4885
US-20040053913-A1 Process for preparing 6-alkylidene penem derivatives PGM2, BPGM, MRPL21 ALDH1A1 998/4885SMN1; SMN2 1450/4885MAPT 3052/4885
US-20040077622-A1 Bicyclic 5-alkylidene-penems as beta lactamases inhibitors PGLS, BPGM, B2M ALDH1A1 426/4885SMN1; SMN2 2073/4885MAPT 2866/4885
US-20080312203-A1 Bicyclic 6-Alkylidene-Penems as Beta-Lactamase Inhibitors PGLS, PEPD, B2M ALDH1A1 1105/4885SMN1; SMN2 3122/4885MAPT 3462/4885

“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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