SCHEMBL2808619

SCHEMBL2808619

O=C1CCCC(C(=O)N[C@@]2(C(=O)NCc3ccc(Nc4ccccc4C(F)(F)F)cc3)CCOC2)C1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 1/20 0.35
POLB P06746 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP1A2 P05177 1/20 0.33
P2RX7 Q99572 3/20 0.33
SCN9A Q15858 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
RECQL P46063 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
SCHEMBL2806170 0.95 CTDSP1 (0.35) CTDSP1POLBMEN1KMT2ACYP1A2
SCHEMBL13128471 0.88 CTDSP1 (0.39) CTDSP1POLBP2RX7SCN9ANFKB1
SCHEMBL185988 0.86 P2RX7 (0.33) CTDSP1POLBMEN1KMT2ACYP1A2
SCHEMBL13128461 0.86 CTDSP1 (0.36) CTDSP1POLBP2RX7SCN9ANFKB1
SCHEMBL2808449 0.85 MEN1 (0.35) CTDSP1POLBMEN1KMT2ACYP1A2
SCHEMBL2808451 0.85 MEN1 (0.35) CTDSP1POLBMEN1KMT2ACYP1A2
SCHEMBL13128477 0.84 P2RX7 (0.47) CTDSP1MEN1KMT2AP2RX7
SCHEMBL2804900 0.83 SMN1; SMN2 (0.38) CTDSP1POLBMEN1KMT2ACYP1A2
SCHEMBL198810 0.83 SMN1; SMN2 (0.38) CTDSP1POLBMEN1KMT2ACYP1A2
SCHEMBL185594 0.83 SMN1; SMN2 (0.38) CTDSP1POLBMEN1KMT2ACYP1A2

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 3203/4885MEN1 314/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 CTDSP1 4271/4885POLB 3203/4885MEN1 314/4885

“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.