SCHEMBL1709288

SCHEMBL1709288

CCc1ccsc1C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.34
GABRB2 P47870 2/20 0.34
PDE7A Q13946 1/20 0.34
LTB4R Q15722 1/20 0.31
RIPK1 Q13546 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
SCHEMBL20890576 0.83 GABRA1 (0.32) GABRA1GABRB2LTB4R
SCHEMBL12322155 0.80 GABRA1 (0.33) GABRA1GABRB2
SCHEMBL19879801 0.80 RIPK1 (0.33) RIPK1
SCHEMBL20234171 0.80 KLF10 (0.34) LTB4R
SCHEMBL22940423 0.78 SLC6A2 (0.39)
SCHEMBL23597582 0.77 GABRA1 (0.36) GABRA1GABRB2PDE7A
SCHEMBL18827110 0.77 DPP4 (0.35)
SCHEMBL4649171 0.73
SCHEMBL9032123 0.72 RAB9A (0.31)
SCHEMBL6965383 0.72 LTB4R (0.38) GABRA1GABRB2LTB4RRIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210145812-A1 AMINOAMIDE COMPOUNDS BIOTHERYX, INC. (US) 2021-05-20 US disclosed
WO-2021022229-A1 POPULATIONS OF NATURAL KILLER CELLS COMPRISING A CLEAVAGE RESISTANT CD16 CELULARITY INC. (US) 2021-02-04 WO disclosed
US-10905684-B2 Aminoamide compounds BIOTHERYX, INC. (US) 2021-02-02 US disclosed
US-20190106427-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-04-11 US disclosed
US-10017522-B2 Alpha helix mimetics and methods relating thereto Prism BioLab Co., Ltd. (JP) 2018-07-10 US disclosed
US-20120316156-A1 [1,2,4]THIADIAZINE 1,1-DIOXIDE COMPOUNDS FOR LOWERING SERUM URIC ACID ANADYS PHARMACEUTICALS, INC. (US) 2012-12-13 US disclosed
US-8329718-B2 N-linked heterocyclic antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-11 US disclosed
US-20120088770-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PRISM BIOLAB CORPORATION (JP) 2012-04-12 US disclosed
US-8012963-B2 3,4-dihydro-2H-benzo[1,4]oxazine and thiazine derivatives as CETP inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2011-09-06 US disclosed
US-8012963-B2 3,4-dihydro-2H-benzo[1,4]oxazine and thiazine derivatives as CETP inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2011-09-06 US disclosed
US-20100227857-A1 3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE AND THIAZINE DERIVATIVES AS CETP INHIBITORS KUO GEE-HONG 2010-09-09 US disclosed
US-20100227857-A1 3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE AND THIAZINE DERIVATIVES AS CETP INHIBITORS KUO GEE-HONG 2010-09-09 US disclosed
US-20100197716-A1 N-LINKED HETEROCYCLIC ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2010-08-05 US disclosed
US-7749995-B2 3,4-dihydro-2h-benzo[1,4]oxazine and thiazine derivatives as CETP inhibitors JANSSEN PHARMACEUTICA NV (BE) 2010-07-06 US disclosed
US-7749995-B2 3,4-dihydro-2h-benzo[1,4]oxazine and thiazine derivatives as CETP inhibitors JANSSEN PHARMACEUTICA NV (BE) 2010-07-06 US disclosed
US-7728008-B2 N-linked heterocyclic antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-01 US disclosed
US-7700620-B2 C-linked cyclic antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-20 US disclosed
US-7550499-B2 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-23 US disclosed
US-20070265252-A1 3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE AND THIAZINE DERIVATIVES AS CETP INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-15 US disclosed
US-20070032518-A1 Compounds and methods of use AMGEN INC. (US) 2007-02-08 US 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 (10 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-20100227857-A1 3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE AND THIAZINE DERIVATIVES AS CETP INHIBITORS CETP, MTTP, CES1 GABRA1 4730/4885GABRB2 4642/4885PDE7A 3035/4885
US-20120088770-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PLOD3, COL1A1, THPO GABRA1 2809/4885GABRB2 2851/4885PDE7A 381/4885
US-10905684-B2 Aminoamide compounds DNPEP, BCAT2, AADAT GABRA1 2495/4885GABRB2 1450/4885PDE7A 3242/4885
US-20070265252-A1 3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE AND THIAZINE DERIVATIVES AS CETP INHIBITORS CETP, MTTP, CES1 GABRA1 4730/4885GABRB2 4642/4885PDE7A 3035/4885
US-20070032518-A1 Compounds and methods of use BAX, BAD, CASP3 GABRA1 3854/4885GABRB2 3175/4885PDE7A 1072/4885
US-20100197716-A1 N-LINKED HETEROCYCLIC ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS P2RY1, P2RY11, P2RY13 GABRA1 293/4885GABRB2 876/4885PDE7A 321/4885
US-20120316156-A1 [1,2,4]THIADIAZINE 1,1-DIOXIDE COMPOUNDS FOR LOWERING SERUM URIC ACID THOP1, XDH, DUOX1 GABRA1 3649/4885GABRB2 4554/4885PDE7A 804/4885
US-10017522-B2 Alpha helix mimetics and methods relating thereto PLOD3, COL1A1, THPO GABRA1 2809/4885GABRB2 2851/4885PDE7A 381/4885
US-20210145812-A1 AMINOAMIDE COMPOUNDS DNPEP, BCAT2, AADAT GABRA1 2495/4885GABRB2 1450/4885PDE7A 3242/4885
US-20190106427-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF WEE1, WEE2, NME1 GABRA1 4320/4885GABRB2 4035/4885PDE7A 2392/4885

“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.