SCHEMBL3222463

SCHEMBL3222463

c1nc2ncc3c(n2n1)CCNC3

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.41
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
GLA P06280 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 2/20 0.35
PNMT P11086 2/20 0.32
CD44 P16070 1/20 0.32
MAOB P27338 1/20 0.32
HTR2C P28335 2/20 0.31
PDE1B Q01064 1/20 0.30
ASIC3 Q9UHC3 1/20 0.30

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
SCHEMBL3223122 0.76 LMNA (0.38) HTR6ALDH1A1SMN1; SMN2GAAKDM4E
SCHEMBL17645602 0.73 HTR6 (0.43) HTR6SMN1; SMN2POLBPNMTCD44
SCHEMBL16220603 0.68 PNMT (0.38) HTR6SMN1; SMN2POLBPNMTCD44
SCHEMBL15088358 0.67 BPTF (0.39) HTR6PNMTCD44MAOBHTR2C
SCHEMBL3222358 0.67 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2GAAKDM4EMEN1
SCHEMBL3071498 0.67 PNMT (0.33) HTR6SMN1; SMN2POLBPNMTCD44
Hydrochloric Acid SCHEMBL3030341 0.66 BPTF (0.39) HTR6PNMTCD44MAOBHTR2C
Hydrochloric Acid SCHEMBL29759718 0.66 BPTF (0.39) HTR6PNMTCD44MAOBHTR2C
SCHEMBL10095074 0.65 POLB (0.47) HTR6ALDH1A1SMN1; SMN2KDM4EPOLB
SCHEMBL20792704 0.65 S1PR1 (0.37) HTR6PNMTCD44MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691842-B2 Tricyclic 6-alkylidene-penems as β-lactamase inhibitors WYETH LLC (US) 2010-04-06 US disclosed
US-20100063023-A1 Bicyclic and Tricyclic Substituted 6-Methylidene Carbapenems as Broad Spectrum Beta-Lactamase Inhibitors WYETH (US) 2010-03-11 US disclosed
EP-1499622-B1 HETEROTRICYCLYL 6-ALKYLIDENE-PENEMS AS BETA-LACTAMASE INHIBITORS WYETH CORP (US) 2009-03-11 EP disclosed
US-20080318921-A1 Tricyclic 6-Alkylidene-Penems as Beta-Lactamase Inhibitors WYETH (US) 2008-12-25 US disclosed
EP-1909786-A2 TRICYCLIC 6-ALKYLIDENE-PENEM ß-LACTAMASE INHIBITORS AND ß-LACTAM ANTIBIOTIC COMBINATION: A BROAD SPECTRUM ANTIBIOTIC Wyeth a Corporation of the State of Delaware (US) 2008-04-16 EP disclosed
EP-1885358-A2 TRICYCLIC 6-ALKYLIDENE-PENEMS AS CLASS-D ß-LACTAMASES INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2008-02-13 EP disclosed
US-20070232582-A1 4-substituted or unsubtituted-7-hydro-1,4-thiazepine-7-[bicyclic or tricyclic heteroaryl] substituted-3,6-dicarboxylic acid derivatives as beta-lactamase inhibitors WYETH HOLDINGS CORPORATION (US) 2007-10-04 US disclosed
US-7229983-B2 4-substituted or unsubstituted-7-hydro-1,4-thiazepine-7-[bicyclic or tricyclic heteroaryl] substituted-3,6-dicarboxylic acid derivatives as β-lactamase inhibitors WYETH HOLDINGS CORPORATION (US) 2007-06-12 US disclosed
WO-2007030166-A2 TRICYCLIC 6-ALKYLIDENE-PENEMS AS CLASS-D β-LACTAMASES INHIBITORS WYETH (US) 2007-03-15 WO disclosed
WO-2007027323-A2 TRICYCLIC 6-ALKYLIDENE-PENEM β-LACTAMASE INHIBITORS AND β-LACTAM ANTIBIOTIC COMBINATION: A BROAD SPECTRUM ANTIBIOTIC WYETH (US) 2007-03-08 WO disclosed
US-20070027130-A1 Tricyclic 6-alkylidene-penem beta-lactamase inhibitors and beta-lactam antibiotic combination: a broad spectrum antibiotic WYETH (US) 2007-02-01 US disclosed
US-20060276446-A1 Tricyclic 6-alkylidene-penems as class-D beta-lactamases inhibitors WYETH (US) 2006-12-07 US disclosed
US-20060074064-A1 Tricyclic 6-alkylidene-penems as beta-lactamase inhibitors WYETH (US) 2006-04-06 US disclosed
US-7018997-B2 Tricyclic 6-alkylidene-penems as β-lactamase inhibitors WYETH (US) 2006-03-28 US disclosed
EP-1499622-A1 HETEROTRICYCLYL 6-ALKYLIDENE-PENEMS AS BETA-LACTAMASE INHIBITORS Wyeth (US) 2005-01-26 EP disclosed
US-20040214812-A1 4-Substituted or unsubstituted-7-hydro-1,4-thiazepine-7-[bicyclic or tricyclic heteroaryl] substituted-3,6-dicarboxylic acid derivatives as beta-lactamase inhibitors WYETH HOLDINGS CORPORATION (US) 2004-10-28 US disclosed
US-20040043978-A1 Tricyclic 6-alkylidene-penems as beta-lactamase inhibitors WYETH 2004-03-04 US disclosed
WO-2003093280-A1 HETEROTRICYCLYL 6-ALKYLIDENE-PENEMS AS ΒΕΤΑ-LACTAMASE 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 (8 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-20070027130-A1 Tricyclic 6-alkylidene-penem beta-lactamase inhibitors and beta-lactam antibiotic combination: a broad spectrum antibiotic MGAM, B2M, PEPD HTR6 1522/4885ALDH1A1 1461/4885SMN1; SMN2 3405/4885
US-20060074064-A1 Tricyclic 6-alkylidene-penems as beta-lactamase inhibitors PGLS, MGAM, PREP HTR6 1357/4885ALDH1A1 765/4885SMN1; SMN2 2433/4885
US-20040214812-A1 4-Substituted or unsubstituted-7-hydro-1,4-thiazepine-7-[bicyclic or tricyclic heteroaryl] substituted-3,6-dicarboxylic acid derivatives as beta-lactamase inhibitors DDC, AADAC, ALDH7A1 HTR6 2697/4885ALDH1A1 84/4885SMN1; SMN2 4248/4885
US-20080318921-A1 Tricyclic 6-Alkylidene-Penems as Beta-Lactamase Inhibitors PGLS, MGAM, PREP HTR6 1357/4885ALDH1A1 765/4885SMN1; SMN2 2433/4885
US-20060276446-A1 Tricyclic 6-alkylidene-penems as class-D beta-lactamases inhibitors PEPD, PGLS, MGAM HTR6 1706/4885ALDH1A1 920/4885SMN1; SMN2 4284/4885
US-20100063023-A1 Bicyclic and Tricyclic Substituted 6-Methylidene Carbapenems as Broad Spectrum Beta-Lactamase Inhibitors MGAM, CYP2C18, BCAT2 HTR6 3945/4885ALDH1A1 688/4885SMN1; SMN2 2041/4885
US-20040043978-A1 Tricyclic 6-alkylidene-penems as beta-lactamase inhibitors PGLS, MGAM, PREP HTR6 1654/4885ALDH1A1 646/4885SMN1; SMN2 2305/4885
US-20070232582-A1 4-substituted or unsubtituted-7-hydro-1,4-thiazepine-7-[bicyclic or tricyclic heteroaryl] substituted-3,6-dicarboxylic acid derivatives as beta-lactamase inhibitors DDC, AADAC, ALDH7A1 HTR6 2590/4885ALDH1A1 76/4885SMN1; SMN2 4317/4885

“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.