SCHEMBL2806704

SCHEMBL2806704

Nc1ccc(C(=O)NC2(C(=O)NCc3ccc(Nc4ccc(F)cc4C(F)(F)F)cn3)CCOC2)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 3/20 0.36
CNR2 P34972 3/20 0.34
HIF1A Q16665 1/20 0.34
EPAS1 Q99814 1/20 0.34
HDAC1 Q13547 3/20 0.33
HDAC3 O15379 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
NAMPT P43490 1/20 0.32
P2RX7 Q99572 2/20 0.31
ABL1 P00519 1/20 0.31
BCR P11274 1/20 0.31
KIT P10721 1/20 0.31
KLKB1 P03952 1/20 0.31
METTL3 Q86U44 1/20 0.31
MAPK3 P27361 1/20 0.31
MAPK1 P28482 1/20 0.31
RAF1 P04049 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 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
SCHEMBL186061 1.00 OPRL1 (0.36) OPRL1CNR2HIF1AEPAS1HDAC1
SCHEMBL186503 0.93 CNR2 (0.37) OPRL1CNR2HDAC1HDAC3HDAC2
SCHEMBL2811657 0.93 CNR2 (0.37) OPRL1CNR2HDAC1HDAC3HDAC2
SCHEMBL186398 0.92 HDAC1 (0.35) CNR2HDAC1HDAC3HDAC2HDAC6
SCHEMBL2809085 0.90 OPRL1 (0.38) OPRL1CNR2HDAC1HDAC3HDAC2
SCHEMBL186116 0.89 OPRL1 (0.35) OPRL1CNR2HDAC1HDAC3HDAC2
SCHEMBL2806900 0.89 OPRL1 (0.35) OPRL1CNR2HDAC1HDAC3HDAC2
SCHEMBL2808175 0.89 BDKRB1 (0.36) OPRL1CNR2HDAC1HDAC3HDAC2
SCHEMBL185908 0.89 BDKRB1 (0.36) OPRL1CNR2HDAC1HDAC3HDAC2
SCHEMBL2808301 0.89 OPRL1 (0.37) OPRL1CNR2HDAC1HDAC3HDAC2

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 OPRL1 334/4885CNR2 882/4885HIF1A 2250/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 OPRL1 334/4885CNR2 882/4885HIF1A 2250/4885

“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.