SCHEMBL10071780

SCHEMBL10071780

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.34
HPGD P15428 3/20 0.34
LMNA P02545 1/20 0.34
NPC1 O15118 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
MAPT P10636 3/20 0.34
NAMPT P43490 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TP53 P04637 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
SPHK1 Q9NYA1 2/20 0.32
CASP1 P29466 1/20 0.31
SLC10A2 Q12908 1/20 0.31
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 2/20 0.31
GLA P06280 1/20 0.31
MEN1 O00255 1/20 0.31
PSMB8 P28062 1/20 0.31

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
SCHEMBL10071817 0.85 NAMPT (0.39) NAMPTCD274PSMB8
SCHEMBL11906983 0.85 NAMPT (0.39) NAMPTCD274PSMB8
SCHEMBL10070601 0.82 SPHK1 (0.37) LMNAMAPTCYP1A2CYP2C9CYP2C19
SCHEMBL3777862 0.79 CTSK (0.35) RAB9ALMNANPC1SMN1; SMN2MAPT
SCHEMBL3777857 0.79 CTSK (0.35) RAB9ALMNANPC1SMN1; SMN2MAPT
SCHEMBL10065476 0.76 CYP4F2 (0.36) RAB9ALMNASMN1; SMN2MAPTCYP1A2
SCHEMBL15988503 0.76 NAMPT (0.38) NAMPTCD274ALDH1A1PSMB8
SCHEMBL2788368 0.75 SPHK1 (0.37) RAB9ALMNASPHK1ALDH1A1
SCHEMBL11906826 0.73 SLC10A2 (0.33) NAMPTCD274SLC10A2
SCHEMBL11906829 0.73 NAMPT (0.34) NAMPTCD274SLC10A2

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 RAB9A 1874/4885HPGD 2006/4885LMNA 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.