SCHEMBL2806900

SCHEMBL2806900

Nc1ccc(C(=O)NC2(C(=O)NCc3ncc(Nc4ccc(F)cc4C(F)(F)F)cc3F)CCOC2)cn1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 3/20 0.35
CNR2 P34972 4/20 0.33
HDAC1 Q13547 4/20 0.33
HDAC3 O15379 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
VNN1 O95497 1/20 0.32
GNRHR P30968 2/20 0.32
AURKA O14965 1/20 0.31
P2RX7 Q99572 2/20 0.31
CTSL P07711 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
MAPK3 P27361 1/20 0.30
MAPK1 P28482 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL186116 1.00 OPRL1 (0.35) OPRL1CNR2HDAC1HDAC3HDAC2
SCHEMBL185091 0.94 EPHX2 (0.37) CNR2GNRHRMAPT
SCHEMBL2805721 0.94 EPHX2 (0.37) CNR2GNRHRMAPT
SCHEMBL186503 0.90 CNR2 (0.37) OPRL1CNR2HDAC1HDAC3HDAC2
SCHEMBL2811657 0.90 CNR2 (0.37) OPRL1CNR2HDAC1HDAC3HDAC2
SCHEMBL2805565 0.90 OPRL1 (0.38) OPRL1CNR2HDAC1HDAC3HDAC2
SCHEMBL2811472 0.89 BDKRB1 (0.35) OPRL1CNR2HDAC1HDAC3HDAC2
SCHEMBL2811476 0.89 BDKRB1 (0.35) OPRL1CNR2HDAC1HDAC3HDAC2
SCHEMBL186061 0.89 OPRL1 (0.36) OPRL1CNR2HDAC1HDAC3HDAC2
SCHEMBL2806704 0.89 OPRL1 (0.36) 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 882/4885HDAC1 1428/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 OPRL1 334/4885CNR2 882/4885HDAC1 1428/4885

“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.