SCHEMBL2806528

SCHEMBL2806528

COc1ccccc1C(=O)N[C@@]1(C(=O)NCc2ccc(Nc3ccccc3C(F)(F)F)cc2)CCOC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.41
TP53 P04637 2/20 0.41
GLA P06280 1/20 0.41
LMNA P02545 3/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ATM Q13315 1/20 0.40
ALPL P05186 1/20 0.39
POLB P06746 1/20 0.39
BDKRB1 P46663 1/20 0.39
P2RX7 Q99572 1/20 0.39
CNR2 P34972 1/20 0.38
KCNA3 P22001 1/20 0.38
S1PR1 P21453 1/20 0.38
HCN4 Q9Y3Q4 1/20 0.37
MAPT P10636 2/20 0.37

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
SCHEMBL2809237 0.87 GAA (0.44) LMNAATMPOLBCNR2MAPT
SCHEMBL2808927 0.87 LMNA (0.39) HPGDLMNAKDM4ESMN1; SMN2ATM
SCHEMBL186396 0.86 HPGD (0.40) HPGDTP53GLALMNAKDM4E
SCHEMBL2808159 0.86 KCNH2 (0.43) KDM4ESMN1; SMN2POLBBDKRB1CNR2
SCHEMBL2805499 0.85 BDKRB1 (0.41) POLBBDKRB1CNR2
SCHEMBL2813652 0.85 KMT2A (0.42) HPGDLMNASMN1; SMN2BDKRB1MAPT
SCHEMBL13128501 0.84 SMN1; SMN2 (0.41) HPGDTP53KDM4ESMN1; SMN2MAPT
SCHEMBL2812345 0.83 POLB (0.43) HPGDLMNAKDM4ESMN1; SMN2POLB
SCHEMBL2804934 0.83 BDKRB1 (0.48) TP53POLBBDKRB1CNR2
SCHEMBL2808664 0.83 BDKRB1 (0.40) POLBBDKRB1CNR2MAPT

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 HPGD 2326/4885TP53 2836/4885GLA 1635/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 HPGD 2326/4885TP53 2836/4885GLA 1635/4885

“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.