SCHEMBL2811657

SCHEMBL2811657

Nc1ccc(C(=O)NC2(C(=O)NCc3ccc(Nc4ccc(F)cc4C(F)(F)F)cc3)CCOC2)cn1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.37
OPRL1 P41146 3/20 0.36
PTK2 Q05397 2/20 0.36
NAMPT P43490 1/20 0.36
HDAC1 Q13547 3/20 0.35
VNN1 O95497 1/20 0.35
BDKRB1 P46663 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
PRKAA2 P54646 1/20 0.34
PDPK1 O15530 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33

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
SCHEMBL186503 1.00 CNR2 (0.37) CNR2OPRL1PTK2NAMPTHDAC1
SCHEMBL186061 0.93 OPRL1 (0.36) CNR2OPRL1NAMPTHDAC1HDAC3
SCHEMBL2806704 0.93 OPRL1 (0.36) CNR2OPRL1NAMPTHDAC1HDAC3
SCHEMBL185978 0.92 CNR2 (0.42) CNR2PTK2HDAC1BDKRB1
SCHEMBL2806748 0.92 CNR2 (0.42) CNR2PTK2HDAC1BDKRB1
SCHEMBL2806900 0.90 OPRL1 (0.35) CNR2OPRL1HDAC1VNN1HDAC3
SCHEMBL186116 0.90 OPRL1 (0.35) CNR2OPRL1HDAC1VNN1HDAC3
SCHEMBL2808646 0.90 HDAC1 (0.42) CNR2PTK2NAMPTHDAC1BDKRB1
SCHEMBL2808644 0.90 HDAC1 (0.42) CNR2PTK2NAMPTHDAC1BDKRB1
SCHEMBL2809544 0.89 OPRL1 (0.39) CNR2OPRL1PTK2HDAC1VNN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130131075-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-23 US disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 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 (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-20130131075-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 CNR2 882/4885OPRL1 334/4885PTK2 3921/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 CNR2 882/4885OPRL1 334/4885PTK2 3921/4885

“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.