SCHEMBL3343632

SCHEMBL3343632

NCC1CN(Cc2ccccc2)CCN1Cc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.58
LMNA P02545 2/20 0.55
POLB P06746 2/20 0.52
ALDH1A1 P00352 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
GAA P10253 1/20 0.50

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
SCHEMBL15709182 0.98 SIGMAR1 (0.56) SIGMAR1LMNAPOLBALDH1A1MEN1
SCHEMBL31421250 0.88 LMNA (0.60) SIGMAR1LMNAPOLBALDH1A1MEN1
SCHEMBL20660205 0.86 SIGMAR1 (0.56) SIGMAR1LMNAPOLB
SCHEMBL21315846 0.85 SIGMAR1 (0.59) SIGMAR1LMNAPOLBALDH1A1MEN1
SCHEMBL124097 0.85 SIGMAR1 (0.59) SIGMAR1LMNAPOLBALDH1A1MEN1
SCHEMBL2873355 0.85 LMNA (0.57) SIGMAR1LMNAPOLBALDH1A1MEN1
SCHEMBL2089619 0.85 LMNA (0.57) SIGMAR1LMNAPOLBALDH1A1MEN1
SCHEMBL2458948 0.84 LMNA (0.59) SIGMAR1LMNAPOLBALDH1A1MEN1
SCHEMBL3317019 0.84 LMNA (0.59) SIGMAR1LMNAPOLBALDH1A1MEN1
SCHEMBL7240012 0.84 SIGMAR1 (0.58) SIGMAR1LMNAPOLBALDH1A1MEN1

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2127650-B1 Carbapenem antibacterials with gram-negative activity and processes for their preparation FOB SYNTHESIS INC (US) 2018-12-05 EP disclosed
US-8557979-B2 Carbapenem antibacterials with gram-negative activity and processes for their preparation FOB SYNTHESIS, INC. (US) 2013-10-15 US disclosed
US-20120296084-A1 Carbapenem Antibacterials with Gram-Negative Activity and Processes for Their Preparation FOB SYNTHESIS, INC. (US) 2012-11-22 US disclosed
US-8232268-B2 Carbapenem antibacterials with gram-negative activity and processes for their preparation FOB SYNTHESIS, INC. (US) 2012-07-31 US disclosed
US-20100160284-A1 CARBAPENEM ANTIBACTERIALS WITH GRAM-NEGATIVE ACTIVITY AND PROCESSES FOR THEIR PREPARATION FOB SYNTHESIS, INC., (US) 2010-06-24 US disclosed
US-7683049-B2 Carbapenem antibacterials with gram-negative activity and processes for their preparation FOB SYNTHESIS, INC. (US) 2010-03-23 US disclosed
EP-2127650-A2 Carbapenem antibacterials with gram-negative activity and processes for their preparation FOB Synthesis, Inc. (US) 2009-12-02 EP disclosed
EP-1765326-A4 CARBAPENEM ANTIBACTERIALS WITH GRAM-NEGATIVE ACTIVITY AND PROCESSES FOR THEIR PREPARATION FOB SYNTHESIS INC (US) 2009-05-13 EP disclosed
US-7259157-B2 N-substituted nonaryl-heterocyclo amidyl NMDA/NR2B Antagonists MERCK & CO., INC. (US) 2007-08-21 US disclosed
US-7259157-B2 N-substituted nonaryl-heterocyclo amidyl NMDA/NR2B Antagonists MERCK & CO., INC. (US) 2007-08-21 US disclosed
WO-2002080928-A1 N-SUBSTITUTED NONARYL-HETEROCYCLO AMIDYL NMDA/NR2B ANTAGONISTS MERCK & CO., INC. (US) 2002-10-17 WO disclosed
EP-1095029-B1 PIPERAZINE DERIVATIVES INHIBITING HUMAN IMMUNODEFICIENCY VIRUS REPLICATION UNIV PARIS 7 DENIS DIDEROT (FR) 2002-09-18 EP disclosed
EP-1095029-A1 PIPERAZINE DERIVATIVES INHIBITING HUMAN IMMUNODEFICIENCY VIRUS REPLICATION UNIVERSITE PARIS 7 - Denis DIDEROT (FR) 2001-05-02 EP disclosed
WO-2000001677-A1 PIPERAZINE DERIVATIVES INHIBITING HUMAN IMMUNODEFICIENCY VIRUS REPLICATION UNIVERSITE PARIS 7 - DENIS DIDEROT (FR) 2000-01-13 WO disclosed
EP-0288519-A4 1-TERTIARY-ALKYL-SUBSTITUTED NAPHTHYRIDINE- AND QUINOLINE-CARBOXYLIC ACID ANTIBACTERIAL AGENTS 1992-04-15 EP disclosed
US-4965273-A Certain 1-tertiary-butyl-naphthyridone carboxylic acid derivatives anti-bacterial agents BRISTOL-MYERS COMPANY (US) 1990-10-23 US disclosed
US-4954507-A 1-tertiary-alkyl-substituted naphthyridine carboxylic acid antibacterial agents BRISTOL-MYERS COMPANY (US) 1990-09-04 US disclosed
EP-0288519-A1 1-TERTIARY-ALKYL-SUBSTITUTED NAPHTHYRIDINE- AND QUINOLINE-CARBOXYLIC ACID ANTIBACTERIAL AGENTS Bristol-Myers Squibb Company (US) 1988-11-02 EP disclosed
EP-0266576-A2 1-Tert-alkyl-substituted naphthyridine and quinoline carboxylic acids as antibacterial agents Bristol-Myers Squibb Company (US) 1988-05-11 EP disclosed
WO-1988002627-A1 1-TERTIARY-ALKYL-SUBSTITUTED NAPHTHYRIDINE- AND QUINOLINE-CARBOXYLIC ACID ANTIBACTERIAL AGENTS BRISTOL-MYERS COMPANY (US) 1988-04-21 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 (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-20120296084-A1 Carbapenem Antibacterials with Gram-Negative Activity and Processes for Their Preparation MGAM, GSK3B, GSK3A SIGMAR1 1228/4885LMNA 1097/4885POLB 337/4885
US-20100160284-A1 CARBAPENEM ANTIBACTERIALS WITH GRAM-NEGATIVE ACTIVITY AND PROCESSES FOR THEIR PREPARATION MGAM, GSK3B, GSK3A SIGMAR1 1228/4885LMNA 1097/4885POLB 337/4885

“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.