SCHEMBL2923547

SCHEMBL2923547

O=Cc1cn2c(n1)CN(Cc1ccccc1)CC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
COMT P21964 1/20 0.46
SIGMAR1 Q99720 2/20 0.46
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
ALDH1A1 P00352 2/20 0.43
SLC6A5 Q9Y345 1/20 0.41
MC4R P32245 1/20 0.41
DRD4 P21917 4/20 0.40
DRD2 P14416 3/20 0.40
DRD3 P35462 3/20 0.40
GAA P10253 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 2/20 0.39
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 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
SCHEMBL28638045 0.87 GAA (0.43) COMTALDH1A1GAAKMT2ALMNA
SCHEMBL19586255 0.81 GAA (0.47) ALDH1A1GAAKMT2AHPGDSMN1; SMN2
SCHEMBL6382726 0.80 HRH4 (0.31)
SCHEMBL5764769 0.72 SIGMAR1 (0.50) SIGMAR1ALDH1A1MC4RDRD4DRD2
SCHEMBL4037900 0.72 ALDH1A1 (0.49) SIGMAR1ALDH1A1MC4RDRD4GAA
SCHEMBL2929695 0.71 CHRM2 (0.32) ALDH1A1KMT2A
SCHEMBL2922955 0.71 LMNA (0.52) ADORA1ALDH1A1KMT2ALMNAMAPT
SCHEMBL14837570 0.71 SIGMAR1 (0.52) COMTSIGMAR1ADORA2AADORA1ALDH1A1
SCHEMBL2333646 0.71 HDAC6 (0.38)
SCHEMBL5774861 0.70 MEN1 (0.57) SIGMAR1ALDH1A1SLC6A5DRD4GAA

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-2003093277-A1 PROCESS FOR PREPARING 6-ALKYLIDENE PENEM DERIVATIVES WYETH (US) 2003-11-13 WO disclosed
WO-2003093279-A1 BICYCLIC 6-ALKYLIDENE-PENEMS AS ß-LACTAMASES INHIBITORS 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 COMT 1235/4885SIGMAR1 3564/4885ADORA2A 3493/4885
US-20060276445-A1 Bicyclic 6-alkylidene-penems as class-D beta-lactamases inhibitors PEPD, MGAM, PGLS COMT 420/4885SIGMAR1 2900/4885ADORA2A 2908/4885
US-20060217361-A1 Bicyclic 6-alkylidene-penems as beta-lactamase inhibitors PGLS, BPGM, B2M COMT 229/4885SIGMAR1 2990/4885ADORA2A 2988/4885
US-20040053913-A1 Process for preparing 6-alkylidene penem derivatives PGM2, BPGM, MRPL21 COMT 1235/4885SIGMAR1 3564/4885ADORA2A 3493/4885
US-20040077622-A1 Bicyclic 5-alkylidene-penems as beta lactamases inhibitors PGLS, BPGM, B2M COMT 304/4885SIGMAR1 2750/4885ADORA2A 3608/4885
US-20080312203-A1 Bicyclic 6-Alkylidene-Penems as Beta-Lactamase Inhibitors PGLS, PEPD, B2M COMT 204/4885SIGMAR1 1789/4885ADORA2A 2845/4885

“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.