SCHEMBL2805738

SCHEMBL2805738

O=C(N[C@@]1(C(=O)NCc2ccc(Nc3ccc(F)cc3C(F)(F)F)cc2)CCOC1)c1cncs1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.39
OPRL1 P41146 3/20 0.37
CNR2 P34972 2/20 0.36
BACE1 P56817 1/20 0.36
CNR1 P21554 1/20 0.34
BDKRB1 P46663 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
PTK2 Q05397 1/20 0.32
AURKA O14965 2/20 0.32
SRPK1 Q96SB4 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
SCHEMBL186467 0.92 AR (0.41) ARCNR2CNR1BDKRB1KMT2A
SCHEMBL2809661 0.92 AR (0.38) ARCNR2BACE1CNR1KMT2A
SCHEMBL2805433 0.90 AR (0.38) ARBACE1CNR1BDKRB1
SCHEMBL185889 0.89 OPRL1 (0.38) AROPRL1CNR2BDKRB1ALDH1A1
SCHEMBL2813417 0.87 BDKRB1 (0.41) OPRL1CNR2BACE1BDKRB1ALDH1A1
SCHEMBL2809068 0.85 BDKRB1 (0.42) OPRL1CNR2CNR1BDKRB1ALDH1A1
SCHEMBL186165 0.85 BDKRB1 (0.42) OPRL1CNR2CNR1BDKRB1ALDH1A1
SCHEMBL13128639 0.85 BDKRB1 (0.40) OPRL1CNR2BDKRB1ALDH1A1LMNA
SCHEMBL2809544 0.84 OPRL1 (0.39) OPRL1CNR2BDKRB1ALDH1A1PTK2
SCHEMBL2808383 0.84 BDKRB1 (0.41) OPRL1CNR2BDKRB1ALDH1A1LMNA

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
US-20130131075-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-23 US disclosed
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
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 US disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 US disclosed
WO-2010097372-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 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-20130131075-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 AR 1452/4885OPRL1 334/4885CNR2 882/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 AR 1452/4885OPRL1 334/4885CNR2 882/4885

“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.