SCHEMBL10070601

SCHEMBL10070601

CCCCOC(=O)[C@]1(NC(=O)c2cncc(N)c2)CCOC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 7/20 0.37
BDKRB1 P46663 1/20 0.35
LMNA P02545 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
PDE4D Q08499 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTR2A P28223 2/20 0.34
SLC6A5 Q9Y345 2/20 0.34
P2RX3 P56373 1/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPT P10636 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
DDO Q99489 1/20 0.33
SPHK2 Q9NRA0 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
SCHEMBL14856552 0.83 HTR2A (0.33) SPHK1BDKRB1LMNACYP1A2CYP3A4
SCHEMBL10071780 0.82 RAB9A (0.34) SPHK1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL10065476 0.82 CYP4F2 (0.36) SPHK1LMNACYP1A2CYP3A4CYP2C9
SCHEMBL11984274 0.81 BDKRB1 (0.39) BDKRB1LMNAALDH1A1KDM4EMEN1
SCHEMBL2788368 0.81 SPHK1 (0.37) SPHK1BDKRB1LMNAL3MBTL1ALDH1A1
SCHEMBL2805627 0.81 KDM4E (0.45) BDKRB1LMNATSHRL3MBTL1ALDH1A1
SCHEMBL185854 0.81 KDM4E (0.45) BDKRB1LMNATSHRL3MBTL1ALDH1A1
SCHEMBL186114 0.75 KDM4E (0.43) BDKRB1LMNACYP1A2ALDH1A1KDM4E
SCHEMBL185855 0.70 KDM4E (0.41) BDKRB1LMNAALDH1A1KDM4EMEN1
SCHEMBL2809517 0.70 BDKRB1 (0.40) BDKRB1LMNATSHRCYP2C19L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8937073-B2 Disubstituted tetrahydrofuranyl compounds and their use as B1-receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-20 US disclosed
EP-2606042-B1 DISUBSTITUTED TETRAHYDROFURANYL COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-09-03 EP disclosed
US-20120208823-A1 New Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-16 US disclosed
WO-2012022795-A1 DISUBSTITUTED TETRAHYDOFURANYL COMPOUNDS AS ANTAGONISTS OF THE BRADYKININ B1 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-23 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 (1 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-20120208823-A1 New Compounds ABCG2, SDHA, UGT2B7 SPHK1 4379/4885BDKRB1 2809/4885LMNA 3370/4885

“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.