SCHEMBL9989186

SCHEMBL9989186

NC(=O)C1(c2ccc(Br)cn2)CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.45
OPRL1 P41146 1/20 0.45
TSHR P16473 2/20 0.42
AKR1C3 P42330 1/20 0.40
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
ALOX5 P09917 3/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ADRA2A P08913 2/20 0.35
ADRA2B P18089 2/20 0.35
ADRA2C P18825 2/20 0.35
PLAU P00749 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
FPR2 P25090 1/20 0.34
BACE1 P56817 2/20 0.33
MAP4K4 O95819 1/20 0.33

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
SCHEMBL29705629 1.00 OPRM1 (0.45) OPRM1OPRL1TSHRAKR1C3HDAC3
SCHEMBL9987096 0.89 OPRL1 (0.49) OPRM1OPRL1TSHRKDM4EALDH1A1
SCHEMBL29551637 0.87 TSHR (0.43) OPRM1OPRL1TSHRAKR1C3HDAC3
SCHEMBL9936597 0.87 TSHR (0.43) OPRM1OPRL1TSHRAKR1C3HDAC3
SCHEMBL9990405 0.86 OPRL1 (0.47) OPRM1OPRL1TSHRKDM4EALDH1A1
SCHEMBL9989391 0.86 OPRL1 (0.47) OPRM1OPRL1TSHRHDAC1KDM4E
SCHEMBL9988957 0.85 OPRL1 (0.46) OPRM1OPRL1TSHRHDAC1KDM4E
SCHEMBL881899 0.83 ADRA2A (0.36) OPRM1OPRL1TSHRAKR1C3HDAC3
SCHEMBL29551162 0.82 TSHR (0.42) TSHRAKR1C3HDAC3HDAC1HDAC7
SCHEMBL9966412 0.82 TSHR (0.42) TSHRAKR1C3HDAC3HDAC1HDAC7

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-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-9090605-B2 Substituted 5-,6- and 7-membered heterocycles, medicaments containing such compounds, and their use VITAE PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
US-9090605-B2 Substituted 5-,6- and 7-membered heterocycles, medicaments containing such compounds, and their use VITAE PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
US-9090605-B2 Substituted 5-,6- and 7-membered heterocycles, medicaments containing such compounds, and their use VITAE PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
US-20150080363-A1 SUBSTITUTED 5-,6- AND 7-MEMBERED HETEROCYCLES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, AND THEIR USE VITAE PHARMACEUTICALS, INC. 2015-03-19 US disclosed
US-8933072-B2 Substituted 5-,6- and 7-membered heterocycles, medicaments containing such compounds, and their use VITAE PHARMACEUTICALS, INC. (US) 2015-01-13 US disclosed
US-8933072-B2 Substituted 5-,6- and 7-membered heterocycles, medicaments containing such compounds, and their use VITAE PHARMACEUTICALS, INC. (US) 2015-01-13 US disclosed
US-8933072-B2 Substituted 5-,6- and 7-membered heterocycles, medicaments containing such compounds, and their use VITAE PHARMACEUTICALS, INC. (US) 2015-01-13 US disclosed
US-20130244993-A1 SUBSTITUTED 5-,6- AND 7-MEMBERED HETEROCYCLES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, AND THEIR USE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-09-19 US disclosed
US-20130244993-A1 SUBSTITUTED 5-,6- AND 7-MEMBERED HETEROCYCLES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, AND THEIR USE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-09-19 US disclosed
US-20130244993-A1 SUBSTITUTED 5-,6- AND 7-MEMBERED HETEROCYCLES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, AND THEIR USE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-09-19 US disclosed
EP-2582698-A1 SUBSTITUTED 5-,6- AND 7-MEMBERED HETEROCYCLES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, AND THEIR USE Vitae Pharmaceuticals, Inc. (US) 2013-04-24 EP 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

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-20130244993-A1 SUBSTITUTED 5-,6- AND 7-MEMBERED HETEROCYCLES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, AND THEIR USE CYP11B1, CYP11B2, HSD3B1 OPRM1 1976/4885OPRL1 1232/4885TSHR 3092/4885
US-12527779-B2 Prostaglandin E2 (PGE2) EP4 receptor antagonists PTGER1, PTGER4, PTGER3 OPRM1 43/4885OPRL1 32/4885TSHR 606/4885
US-20150080363-A1 SUBSTITUTED 5-,6- AND 7-MEMBERED HETEROCYCLES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, AND THEIR USE CYP11B1, CYP11B2, HSD3B1 OPRM1 2060/4885OPRL1 1266/4885TSHR 3153/4885
US-20220378772-A1 PROSTAGLANDIN E2 (PGE2) EP4 RECEPTOR ANTAGONISTS PTGER4, PTGER1, PTGER2 OPRM1 244/4885OPRL1 39/4885TSHR 960/4885

“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.