SCHEMBL198340

SCHEMBL198340

O=C(NC1(C(=O)O)CC1)c1cnc2[nH]cnc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR132 Q9UNW8 3/20 0.36
HPGDS O60760 1/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
RAB9A P51151 4/20 0.33
NPC1 O15118 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
SLC8A1 P32418 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
PYGL P06737 1/20 0.32
EGLN1 Q9GZT9 1/20 0.31
MAPT P10636 1/20 0.31
SLC2A1 P11166 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
NAMPT P43490 1/20 0.30
LMNA P02545 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
SCHEMBL198147 0.87 CYP4F2 (0.38) GPR132HPGDSCYP4F2CYP4A11HDAC6
SCHEMBL2808309 0.87 CYP4F2 (0.38) GPR132HPGDSCYP4F2CYP4A11HDAC6
SCHEMBL2808139 0.80 DDB1 (0.40) GPR132CYP4F2CYP4A11HDAC6
SCHEMBL202921 0.76 MGAM (0.43) HDAC6RAB9ASMN1; SMN2EGLN1MAPT
SCHEMBL29692174 0.76 MGAM (0.43) HDAC6RAB9ASMN1; SMN2EGLN1MAPT
SCHEMBL2301680 0.75 HPGDS (0.44) HPGDSHDAC6RAB9ANPC1SMN1; SMN2
SCHEMBL198148 0.74 CYP4F2 (0.32) HPGDSCYP4F2CYP4A11TDP1HTT
Bicarbonate SCHEMBL198341 0.74 NPC1 (0.52) HPGDSNPC1ALDH1A1HPGDLMNA
SCHEMBL185322 0.72 SMYD3 (0.40) GPR132HDAC6PYGL
SCHEMBL2301543 0.71 MAPK1 (0.43) HPGDSHDAC6SMN1; SMN2LMNA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102414177-B Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT 2014-07-02 CN disclosed
US-20130131075-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-23 US disclosed
EP-2401256-B1 Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT (DE) 2013-04-17 EP disclosed
CN-102414177-A Compounds as bradykinin b1 antagonists BOEHRINGER INGELHEIM INT 2012-04-11 CN disclosed
EP-2401256-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-01-04 EP 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 GPR132 864/4885HPGDS 3113/4885CYP4F2 874/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 GPR132 864/4885HPGDS 3113/4885CYP4F2 874/4885

“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.