SCHEMBL224792

SCHEMBL224792

CN(C(=O)CCl)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.35
HTT P42858 4/20 0.35
RAB9A P51151 3/20 0.35
PIN1 Q13526 1/20 0.33
SMN1; SMN2 Q16637 4/20 0.32
KMT2A Q03164 2/20 0.32
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PYGL P06737 1/20 0.32
TSHR P16473 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL6297662 0.77 ALDH1A1 (0.36) ALDH1A1HTTRAB9APIN1SMN1; SMN2
SCHEMBL2757994 0.76 TDP1 (0.40) ALDH1A1TDP1
SCHEMBL16153654 0.76 PIN1 (0.34) ALDH1A1HTTRAB9APIN1SMN1; SMN2
SCHEMBL13386672 0.76
SCHEMBL4629758 0.75 ALDH1A1 (0.31) ALDH1A1HTTRAB9ASMN1; SMN2NPC1
SCHEMBL5208825 0.74 HMGCR (0.31) ALDH1A1TSHR
SCHEMBL8905559 0.74 AKT1 (0.31) ALDH1A1POLBKDM4ELMNATP53
SCHEMBL8962253 0.74 HMGCR (0.31)
SCHEMBL13386668 0.74 MEN1 (0.32) KMT2ATSHRLMNA
SCHEMBL2164842 0.74 TRPA1 (0.36) ALDH1A1TSHR

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2619196-B1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INT (DE) 2015-09-16 EP disclosed
EP-1577288-B1 Selective estrogen receptor modulators EISAI R&D MAN CO LTD (JP) 2014-07-23 EP disclosed
US-8580825-B2 Oxadiazole inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-12 US disclosed
US-8580825-B2 Oxadiazole inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-12 US disclosed
US-8399520-B2 Selective estrogen receptor modulator EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-03-19 US disclosed
US-20120245162-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-09-27 US disclosed
US-20120245162-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-09-27 US disclosed
WO-2012040137-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-29 WO disclosed
US-20120004315-A1 Selective Estrogen Receptor Modulator RADIUS HEALTH, INC. 2012-01-05 US disclosed
US-7960412-B2 Selective estrogen receptor modulator EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-06-14 US disclosed
US-20060116364-A1 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer EISAI CO., LTD. (JP) 2006-06-01 US disclosed
EP-1577288-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS Eisai Co., Ltd. (JP) 2005-09-21 EP disclosed
US-6903129-B2 D-proline prodrugs HOFFMAN-LA ROCHE INC. (US) 2005-06-07 US disclosed
CN-1604892-A Prodrugs of D-proline HOFFMANN LA ROCHE (CH) 2005-04-06 CN disclosed
EP-1458680-A1 PRODRUGS TO D-PROLINES F. Hoffmann-La Roche AG (CH) 2004-09-22 EP disclosed
US-20030134891-A1 New D-proline prodrugs PENTRAXIN THERAPEUTICS LTD. (GB) 2003-07-17 US disclosed
WO-2003051836-A1 PRODRUGS TO D-PROLINES F. HOFFMANN-LA ROCHE AG (CH) 2003-06-26 WO disclosed
US-5618808-A Benzothiazepine and benzoxazepine derivatives as cholecystokinin receptor antagonists PFIZER, INC. (US) 1997-04-08 US disclosed
EP-0648213-A1 BENZOTHIAZEPINE AND BENZOXAZEPINE DERIVATIVES AS CHOLECYSTOKININ RECEPTOR ANTAGONISTS PFIZER INC. (US) 1995-04-19 EP disclosed
WO-1994001421-A1 BENZOTHIAZEPINE AND BENZOXAZEPINE DERIVATIVES AS CHOLECYSTOKININ RECEPTOR ANTAGONISTS PFIZER INC. (US) 1994-01-20 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 (4 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-20120245162-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION LTB4R, LTC4S, LTB4R2 ALDH1A1 641/4885HTT 4345/4885RAB9A 3845/4885
US-20030134891-A1 New D-proline prodrugs PCNP, PREP, APP ALDH1A1 2185/4885HTT 429/4885RAB9A 3149/4885
US-20060116364-A1 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer BRCA1, BCR, RCC1 ALDH1A1 2275/4885HTT 2359/4885RAB9A 1076/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 ALDH1A1 1214/4885HTT 4740/4885RAB9A 2428/4885

“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.