SCHEMBL117473

SCHEMBL117473

CC(O)(CCCl)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.43
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
ALDH1A1 P00352 2/20 0.40
TAAR1 Q96RJ0 1/20 0.40
ALOX15 P16050 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.39
ESR2 Q92731 3/20 0.39
ESR1 P03372 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL11489257 0.88 CYP2C9 (0.44) CYP2C19SMN1; SMN2ALDH1A1KMT2ACYP3A4
SCHEMBL3190736 0.86 CYP2C19 (0.48) CYP2C19SLC6A4SLC6A3SMN1; SMN2HIF1A
SCHEMBL11690915 0.84 PPARA (0.44) ALDH1A1LMNAKMT2ACYP2C9
SCHEMBL3190448 0.82 SIGMAR1 (0.47) CYP2C19SLC6A4SLC6A3SMN1; SMN2HIF1A
SCHEMBL9495033 0.82 CYP2C19 (0.46) CYP2C19SMN1; SMN2HIF1AALDH1A1TAAR1
SCHEMBL10617967 0.82 CYP2C19 (0.46) CYP2C19SLC6A4SLC6A3SMN1; SMN2HIF1A
SCHEMBL297345 0.82 CYP2C19 (0.46) CYP2C19SLC6A4SLC6A3SMN1; SMN2HIF1A
SCHEMBL31310651 0.82 CYP2C19 (0.46) CYP2C19SMN1; SMN2HIF1AALDH1A1TAAR1
SCHEMBL3200007 0.82 CYP2C19 (0.50) CYP2C19SLC6A4SLC6A3SMN1; SMN2HIF1A
SCHEMBL656347 0.81 KMT2A (0.56) SMN1; SMN2HIF1AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424865-B1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 BOEHRINGER INGELHEIM INT (DE) 2017-01-18 EP disclosed
EP-2687525-B1 CYCLIC INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 BOEHRINGER INGELHEIM INT (DE) 2015-09-23 EP disclosed
US-20150210680-A1 AMINODIHYDROTHIAZINE DERIVATIVES SHIONOGI & CO (JP) 2015-07-30 US disclosed
US-20150210680-A1 AMINODIHYDROTHIAZINE DERIVATIVES SHIONOGI & CO (JP) 2015-07-30 US disclosed
US-8895548-B2 Pharmaceutical composition for treating alzheimer's disease SHIONOGI & CO., LTD. (JP) 2014-11-25 US disclosed
US-8895548-B2 Pharmaceutical composition for treating alzheimer's disease SHIONOGI & CO., LTD. (JP) 2014-11-25 US disclosed
US-8815851-B2 Aminodihydrothiazine derivatives SHIONOGI & CO., LTD. (JP) 2014-08-26 US disclosed
US-8815851-B2 Aminodihydrothiazine derivatives SHIONOGI & CO., LTD. (JP) 2014-08-26 US disclosed
EP-2183228-B1 CYCLIC INHIBITORS OF 11ß -HYDROXYSTERIOD DEHYDROGENASE 1 VITAE PHARMACEUTICALS INC (US) 2014-08-20 EP disclosed
US-8754076-B2 Cyclic inhibitors of 11beta-hydroxysteroid dehydrogenase 1 Vitae Pharmaceuticals, Inc./Boehringer-Ingelheim (DE) 2014-06-17 US disclosed
US-20100331320-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. 2010-12-30 US disclosed
WO-2010127237-A2 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 WO disclosed
US-20100160290-A1 PHARMACEUTICAL COMPOSITION FOR TREATING ALZHEIMER'S DISEASE SHIONOGI & CO., LTD. (JP) 2010-06-24 US disclosed
EP-2183228-A1 CYCLIC INHIBITORS OF 11ß -HYDROXYSTERIOD DEHYDROGENASE 1 Vitae Pharmaceuticals, Inc. (US) 2010-05-12 EP disclosed
WO-2010011314-A1 CYCLIC INHIBITORS OF 11 BETA-HYDROXYSTEROID DEHYDROGENASE 1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-28 WO disclosed
WO-2009134400-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-11-05 WO disclosed
US-20090082560-A1 AMINODIHYDROTHIAZINE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2009-03-26 US disclosed
US-20090082560-A1 AMINODIHYDROTHIAZINE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2009-03-26 US disclosed
WO-2009017664-A1 CYCLIC INHIBITORS OF 11β-HYDROXYSTERIOD DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-02-05 WO disclosed
EP-1942105-A1 AMINODIHYDROTHIAZINE DERIVATIVE Shionogi Co., Ltd. (JP) 2008-07-09 EP 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-20100160290-A1 PHARMACEUTICAL COMPOSITION FOR TREATING ALZHEIMER'S DISEASE NR1H2, NR1H3, NR0B1 CYP2C19 349/4885SLC6A4 1437/4885SLC6A3 1204/4885
US-20100331320-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD11B2, HSD3B1 CYP2C19 246/4885SLC6A4 3438/4885SLC6A3 3149/4885
US-20150210680-A1 AMINODIHYDROTHIAZINE DERIVATIVES BACE1, BACE2, APP CYP2C19 635/4885SLC6A4 1209/4885SLC6A3 775/4885
US-20090082560-A1 AMINODIHYDROTHIAZINE DERIVATIVES BACE1, BACE2, APP CYP2C19 635/4885SLC6A4 1209/4885SLC6A3 775/4885

“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.