SCHEMBL3370369

SCHEMBL3370369

N#CC1(c2ccc(Br)cn2)CCOCC1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 2/20 0.37
TSHR P16473 1/20 0.35
AKR1C3 P42330 1/20 0.33
PIK3CD O00329 1/20 0.31
CYP11B2 P19099 1/20 0.31
PDE1A P54750 1/20 0.30
PDE1B Q01064 1/20 0.30
PDE1C Q14123 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 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
SCHEMBL29705628 1.00 MAP3K12 (0.37) MAP3K12TSHRAKR1C3PIK3CDCYP11B2
SCHEMBL19331076 0.91 MAP3K12 (0.32) MAP3K12TSHR
SCHEMBL5519697 0.89 FFAR4 (0.34)
SCHEMBL9988649 0.85 WDR5 (0.34) MAP3K12
SCHEMBL877334 0.85 MAP3K12 (0.35) MAP3K12
SCHEMBL9989092 0.84 WDR5 (0.36) MAP3K12
SCHEMBL20972056 0.84 TSHR (0.31) TSHR
SCHEMBL15167121 0.84 APP (0.34)
SCHEMBL15180473 0.82 IRAK4 (0.42) TSHRAKR1C3CNR1
SCHEMBL15185363 0.82 IRAK4 (0.42) TSHRAKR1C3CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12527779-B2 Prostaglandin E2 (PGE2) EP4 receptor antagonists DOMAIN THERAPEUTICS (FR) 2026-01-20 US disclosed
EP-4038052-B1 PROSTAGLANDIN E2 (PGE2) EP4 RECEPTOR ANTAGONISTS DOMAIN THERAPEUTICS (FR) 2024-02-07 EP disclosed
US-20220378772-A1 PROSTAGLANDIN E2 (PGE2) EP4 RECEPTOR ANTAGONISTS DOMAIN THERAPEUTICS (FR) 2022-12-01 US disclosed
EP-4038052-A2 PROSTAGLANDIN E2 (PGE2) EP4 RECEPTOR ANTAGONISTS Domain Therapeutics (FR) 2022-08-10 EP disclosed
WO-2021064189-A2 PROSTAGLANDIN E2 (PGE2) EP4 RECEPTOR ANTAGONISTS DOMAIN THERAPEUTICS (FR) 2021-04-08 WO disclosed
EP-2582698-B1 SUBSTITUTED 5-,6- AND 7-MEMBERED HETEROCYCLES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, AND THEIR USE VITAE PHARMACEUTICALS INC (US) 2016-09-14 EP disclosed
EP-2582698-B1 SUBSTITUTED 5-,6- AND 7-MEMBERED HETEROCYCLES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, AND THEIR USE VITAE PHARMACEUTICALS INC (US) 2016-09-14 EP disclosed
US-9150555-B2 Amide derivative and use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-10-06 US disclosed
US-9150555-B2 Amide derivative and use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-10-06 US disclosed
US-9150555-B2 Amide derivative and use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-10-06 US disclosed
US-20120295896-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-22 US disclosed
WO-2011159760-A1 SUBSTITUTED 5-,6- AND 7-MEMBERED HETEROCYCLES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, AND THEIR USE VITAE PHARMACEUTICALS, INC. (US) 2011-12-22 WO disclosed
WO-2011159760-A1 SUBSTITUTED 5-,6- AND 7-MEMBERED HETEROCYCLES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, AND THEIR USE VITAE PHARMACEUTICALS, INC. (US) 2011-12-22 WO disclosed
EP-1646629-B1 CYCLOPROPYL GROUP SUBSTITUTED OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF MERCK SHARP & DOHME (US) 2010-06-23 EP disclosed
US-7582659-B2 Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereof MERCK & CO., INC. (US) 2009-09-01 US disclosed
US-7462633-B2 Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereof MERCK & CO., INC. (US) 2008-12-09 US disclosed
US-20070203187-A1 Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereof MERCK & CO., INC. (US) 2007-08-30 US disclosed
EP-1646629-A2 CYCLOPROPYL GROUP SUBSTITUTED OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF Merck & Co., Inc. (US) 2006-04-19 EP disclosed
US-20050038092-A1 Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereof MERCK SHARP & DOHME CORP. 2005-02-17 US disclosed
WO-2005005398-A2 CYCLOPROPYL GROUP SUBSTITUTED OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF MERCK & CO., INC. (US) 2005-01-20 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 (5 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-20070203187-A1 Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereof OXA1L, ALAD, COASY MAP3K12 4138/4885TSHR 1314/4885AKR1C3 1133/4885
US-12527779-B2 Prostaglandin E2 (PGE2) EP4 receptor antagonists PTGER1, PTGER4, PTGER3 MAP3K12 3358/4885TSHR 606/4885AKR1C3 106/4885
US-20050038092-A1 Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereof OXA1L, ALAD, COASY MAP3K12 4138/4885TSHR 1314/4885AKR1C3 1133/4885
US-20120295896-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION LTB4R, LTC4S, LTB4R2 MAP3K12 3168/4885TSHR 1514/4885AKR1C3 76/4885
US-20220378772-A1 PROSTAGLANDIN E2 (PGE2) EP4 RECEPTOR ANTAGONISTS PTGER4, PTGER1, PTGER2 MAP3K12 1536/4885TSHR 960/4885AKR1C3 396/4885

“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.