SCHEMBL2571014

SCHEMBL2571014

O=[N+]([O-])c1cc2c(cc1OCc1ccccc1)CCNCC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
CTSV O60911 3/20 0.46
CTSL P07711 3/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 1/20 0.43
HTR1A P08908 2/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
SLC6A3 Q01959 2/20 0.42
HTR2B P41595 1/20 0.42
PIN1 Q13526 2/20 0.41
CYP19A1 P11511 3/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
ABCB1 P08183 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 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
SCHEMBL629877 0.88 POLB (0.55) POLBCTSVCTSLMEN1KMT2A
SCHEMBL2569839 0.84 CHRNA7 (0.59) POLBHTR2AHTR2CCTSVCTSL
SCHEMBL7116860 0.80 POLB (0.56) POLBCTSVCTSLMEN1KMT2A
SCHEMBL630175 0.78 POLB (0.43) POLBCTSVCTSLMEN1KMT2A
SCHEMBL3099990 0.77 HTR2C (0.52) HTR2AHTR2CHTR1ASLC6A2SLC6A4
SCHEMBL2566781 0.76 POLB (0.47) POLBCTSVCTSLMEN1KMT2A
SCHEMBL1845491 0.76 HTR6 (0.59) POLBCTSVCTSLMAPTHTR1A
SCHEMBL8316270 0.76 MEN1 (0.55) POLBCTSVCTSLMEN1KMT2A
SCHEMBL3920850 0.75 CTSV (0.58) POLBCTSVCTSLMEN1KMT2A
SCHEMBL2145763 0.75 POLB (0.52) POLBCTSVCTSLMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9676781-B2 Substituted glycinamides, process for their manufacture and use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-06-13 US disclosed
US-20150252050-A1 NEW SUBSTITUTED GLYCINAMIDES, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2015-09-10 US disclosed
US-9062034-B2 Substituted glycinamides, process for their manufacture and use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-06-23 US disclosed
US-20130184256-A1 NEW SUBSTITUTED GLYCINAMIDES, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-18 US disclosed
EP-1899330-B9 SUBSTITUTED GLYCINAMIDES HAVING AN ANTITHROMBOTIC AND FACTOR XA-INHIBITING EFFECT BOEHRINGER INGELHEIM INT (DE) 2011-11-09 EP disclosed
EP-1899330-B1 SUBSTITUTED GLYCINAMIDES HAVING AN ANTITHROMBOTIC AND FACTOR XA-INHIBITING EFFECT BOEHRINGER INGELHEIM INT (DE) 2010-11-24 EP disclosed
US-20100216769-A1 SUBSTITUTED GLYCINAMIDES, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-26 US 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 (3 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-20100216769-A1 SUBSTITUTED GLYCINAMIDES, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS PGM2, MGAM, GNMT POLB 3905/4885HTR2A 3269/4885HTR2C 2345/4885
US-20130184256-A1 NEW SUBSTITUTED GLYCINAMIDES, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS PGM2, MGAM, GRM1 POLB 3992/4885HTR2A 3030/4885HTR2C 2195/4885
US-20150252050-A1 NEW SUBSTITUTED GLYCINAMIDES, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS PGM2, MGAM, GRM1 POLB 3992/4885HTR2A 3030/4885HTR2C 2195/4885

“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.