SCHEMBL2362780

SCHEMBL2362780

CN1CCN(CCN(C(=O)O)c2cccc(Cc3nn(-c4cnn(C)c4)ccc3=O)c2)CC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.36
SIGMAR1 Q99720 1/20 0.36
PARP1 P09874 6/20 0.33
ENPP2 Q13822 1/20 0.33
WNT1 P04628 1/20 0.32
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32
MAPK14 Q16539 1/20 0.32
CACNA2D1 P54289 2/20 0.32
HTR7 P34969 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MCHR1 Q99705 1/20 0.32
KDM5A P29375 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31

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
SCHEMBL2219314 0.95 CCR5 (0.34) OPRM1PARP1CACNA2D1HTR7
SCHEMBL13275685 0.93 OPRM1 (0.33) OPRM1SIGMAR1ENPP2MEN1KMT2A
SCHEMBL2219801 0.93 IRAK1 (0.33) OPRM1SIGMAR1ENPP2MEN1KMT2A
SCHEMBL13274713 0.92 FGFR1 (0.34) OPRM1SIGMAR1PARP1ENPP2MEN1
SCHEMBL13275099 0.92 CASR (0.36) OPRM1SIGMAR1PARP1MCHR1
SCHEMBL2221804 0.89 ENPP2 (0.35) PARP1ENPP2CACNA2D1MEN1KMT2A
SCHEMBL2272785 0.89 ENPP2 (0.35) PARP1ENPP2CACNA2D1MEN1KMT2A
SCHEMBL2265615 0.88 FGFR1 (0.35) OPRM1ENPP2HTR7
SCHEMBL2334239 0.88 ENPP2 (0.34) ENPP2CACNA2D1MEN1KMT2A
SCHEMBL2362163 0.88 OPRM1 (0.36) OPRM1SIGMAR1PARP1MAPK14CACNA2D1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2515657-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-10-31 EP claimed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US claimed
WO-2011084402-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 WO claimed
US-20140165873-A1 Phenylcyclohexanol Derivatives As Wax Modifiers And Gelators XEROX CORPORATION (US) 2014-06-19 US disclosed
EP-2515657-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-10-31 EP disclosed
WO-2011084402-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 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-20120264735-A1 TYROSINE KINASE INHIBITORS ABL1, MET, ERBB2 OPRM1 2711/4885SIGMAR1 3491/4885PARP1 2307/4885
US-20140165873-A1 Phenylcyclohexanol Derivatives As Wax Modifiers And Gelators NR1H3, RXRG, NR1H2 OPRM1 610/4885SIGMAR1 235/4885PARP1 2572/4885

“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.