SCHEMBL616732

SCHEMBL616732

CCNC(=O)[C@H]1CCCN1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRCP P42785 3/20 0.68
DPP7 Q9UHL4 1/20 0.51
TLR2 O60603 2/20 0.51
HTR2C P28335 5/20 0.50
HTR2B P41595 2/20 0.50
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TERT O14746 1/20 0.45
HTR2A P28223 1/20 0.44
GID4 Q8IVV7 1/20 0.42
DPP4 P27487 1/20 0.42

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
SCHEMBL615383 1.00 PRCP (0.68) PRCPDPP7TLR2HTR2CHTR2B
SCHEMBL496387 1.00 PRCP (0.68) PRCPDPP7TLR2HTR2CHTR2B
Hydrochloric Acid SCHEMBL4320225 0.98 PRCP (0.66) PRCPDPP7TLR2HTR2CHTR2B
Acetic Acid SCHEMBL2183483 0.94 PRCP (0.62) PRCPDPP7TLR2HTR2CHTR2B
SCHEMBL13990631 0.94 PRCP (0.61) PRCPDPP7TLR2HTR2CHTR2B
SCHEMBL13359247 0.94 PRCP (0.61) PRCPDPP7TLR2HTR2CHTR2B
SCHEMBL4710537 0.94 PRCP (0.61) PRCPDPP7TLR2HTR2CHTR2B
SCHEMBL22019454 0.90 PRCP (0.57) PRCPDPP7TLR2HTR2CHTR2B
SCHEMBL23169303 0.90
Trifluoroacetic Acid SCHEMBL3332141 0.88 PRCP (0.56) PRCPDPP7TLR2HTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3939658-A1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS Biocryst Pharmaceuticals, Inc. (US) 2022-01-19 EP disclosed
US-20200270221-A1 ANALGESIC COMPOUNDS KTHERA, LLC 2020-08-27 US disclosed
WO-2019195720-A1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2019-10-10 WO disclosed
EP-3283480-A1 NOVEL ARYL-CYANOGUANIDINE COMPOUNDS Bayer Pharma Aktiengesellschaft (DE) 2018-02-21 EP disclosed
WO-2017046606-A1 ANTIBACTERIAL COMPOUNDS REDX PHARMA PLC (GB) 2017-03-23 WO disclosed
WO-2016166186-A1 NOVEL ARYL-CYANOGUANIDINE COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-10-20 WO disclosed
US-20140113005-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-04-24 US disclosed
US-8410112-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-02 US disclosed
US-8410112-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-02 US disclosed
US-8410112-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-02 US disclosed
US-20120040020-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-16 US disclosed
US-20120040020-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-16 US disclosed
US-20120040020-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-16 US disclosed
EP-1874739-B1 PHARMACEUTICALLY ACTIVE DIAZEPANES NOVARTIS AG (CH) 2010-05-26 EP disclosed
US-20080300237-A1 Pharmaceutically Active Diazepanes OBERHAUSER BERNDT 2008-12-04 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 (4 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-20080300237-A1 Pharmaceutically Active Diazepanes VCAM1, ICAM1, CD69 PRCP 2639/4885DPP7 1825/4885TLR2 568/4885
US-20200270221-A1 ANALGESIC COMPOUNDS INA, IK, ACHE PRCP 4163/4885DPP7 4479/4885TLR2 2858/4885
US-20140113005-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK2, CHEK1 PRCP 2827/4885DPP7 3797/4885TLR2 3721/4885
US-20120040020-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK2, CHEK1 PRCP 2827/4885DPP7 3797/4885TLR2 3721/4885

“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.