SCHEMBL2806170

SCHEMBL2806170

O=C1CCC(C(=O)N[C@@]2(C(=O)NCc3ccc(Nc4ccccc4C(F)(F)F)cc3)CCOC2)C1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 1/20 0.35
POLB P06746 3/20 0.34
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
RAB9A P51151 1/20 0.33
EPHX2 P34913 2/20 0.33
HTT P42858 1/20 0.33
RECQL P46063 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 2/20 0.32
P2RX7 Q99572 1/20 0.32
KCNH2 Q12809 1/20 0.32
SCN5A Q14524 1/20 0.32
SCN9A Q15858 1/20 0.32
CYP2C9 P11712 1/20 0.32
OPRL1 P41146 1/20 0.32

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
SCHEMBL2808619 0.95 CTDSP1 (0.35) CTDSP1POLBNFKB1NFKB2RELA
SCHEMBL13128471 0.89 CTDSP1 (0.39) CTDSP1POLBNFKB1NFKB2RELA
SCHEMBL2808451 0.88 MEN1 (0.35) CTDSP1POLBNFKB1NFKB2RELA
SCHEMBL2808449 0.88 MEN1 (0.35) CTDSP1POLBNFKB1NFKB2RELA
SCHEMBL13128461 0.88 CTDSP1 (0.36) CTDSP1POLBNFKB1NFKB2RELA
SCHEMBL186105 0.86 RAB9A (0.33) CTDSP1POLBNFKB1NFKB2RELA
SCHEMBL13128477 0.85 P2RX7 (0.47) CTDSP1RAB9AMEN1KMT2AALDH1A1
SCHEMBL198810 0.85 SMN1; SMN2 (0.38) CTDSP1POLBNFKB1NFKB2RELA
SCHEMBL2804900 0.85 SMN1; SMN2 (0.38) CTDSP1POLBNFKB1NFKB2RELA
SCHEMBL185594 0.85 SMN1; SMN2 (0.38) CTDSP1POLBNFKB1NFKB2RELA

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 CTDSP1 4271/4885POLB 3203/4885NFKB1 1752/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 CTDSP1 4271/4885POLB 3203/4885NFKB1 1752/4885

“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.