SCHEMBL18199

SCHEMBL18199

O=C(O)C1CCC(F)(F)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
LMNA P02545 3/20 0.45
GRM2 Q14416 2/20 0.45
GRM3 Q14832 2/20 0.45
GRM4 Q14833 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP1A2 P05177 2/20 0.45
ALOX15 P16050 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
GRM8 O00222 1/20 0.45
GRM6 O15303 1/20 0.45
GRM5 P41594 1/20 0.45
MTOR P42345 1/20 0.45
GRM1 Q13255 1/20 0.45
PLCB1 Q9NQ66 1/20 0.45
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRG2 P18507 1/20 0.44

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
Lithium SCHEMBL8042771 0.97 TSHR (0.43) TSHRLMNAGRM2GRM3GRM4
Hydrochloric Acid SCHEMBL3997454 0.97 TSHR (0.43) TSHRLMNAGRM2GRM3GRM4
SCHEMBL24337131 0.91 TSHR (0.39) TSHRLMNAGRM2GRM3GRM4
SCHEMBL9893214 0.85 TSHR (0.52) TSHRLMNAGRM2GRM3GRM4
SCHEMBL9893343 0.85 TSHR (0.52) TSHRLMNAGRM2GRM3GRM4
SCHEMBL16577412 0.85 TSHR (0.52) TSHRLMNAGRM2GRM3GRM4
SCHEMBL20827318 0.82 ALDH1A1 (0.42) TSHRLMNAGRM5ALDH1A1EPHX2
SCHEMBL16237715 0.81 EPHX2 (0.36) TSHRLMNAGRM2GRM3GRM4
SCHEMBL2435778 0.80 APLNR (0.46) TSHRLMNAGRM2GRM3GRM4
SCHEMBL2435779 0.80 APLNR (0.46) TSHRLMNAGRM2GRM3GRM4

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 1082 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025202864-A1 ENT1 INHIBITORS IN COMBINATION WITH ONCOLYTIC VIRUSES AND THEIR USE IN THE TREATMENT OF CANCER iTeos Belgium SA (BE) 2025-10-02 WO claimed
WO-2025126110-A1 ENT1 INHIBITORS IN COMBINATION WITH BISPECIFIC ANTIBODIES iTeos Belgium SA (BE) 2025-06-19 WO claimed
WO-2025104613-A1 ENT1 INHIBITORS IN COMBINATION WITH CHECKPOINT INHIBITORS iTeos Belgium SA (BE) 2025-05-22 WO claimed
WO-2025056568-A1 INTRAMOLECULAR STABILIZED MONO ALKYL METAL COMPOUNDS WITH IMPROVED THERMAL AND LIGHT STABILITY AND THEIR USE THEREOF MERCK PATENT GMBH (DE) 2025-03-20 WO claimed
WO-2025024029-A1 METAL ORGANIC RESIST PHOTOSENSITIVITY IMPROVEMENT USING CARBOXYLIC ACID VERSUM MATERIALS US, LLC (US) 2025-01-30 WO claimed
US-20250026848-A1 IDENTIFICATION OF PATHOGENIC IMMUNE CELL SUBSETS IN CHECKPOINT INHIBITOR-INDUCED MYOCARDITIS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2025-01-23 US claimed
CN-116535365-A Macrocyclic diamine derivatives and their combination with adenosine receptor antagonists as ENT inhibitors for the treatment of cancer ITEOS比利时公司 2023-08-04 CN claimed
US-20230203058-A1 MACROCYCLIC DIAMINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS iTeos Belgium SA (BE) 2023-06-29 US claimed
WO-2023023269-A1 IDENTIFICATION OF PATHOGENIC IMMUNE CELL SUBSETS IN CHECKPOINT INHIBITOR-INDUCED MYOCARDITIS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2023-02-23 WO claimed
EP-4132933-A1 MACROCYCLIC DIAMINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS iTeos Belgium SA (BE) 2023-02-15 EP claimed
EP-1776362-A1 SPIRO COMPOUNDS AND METHODS FOR THE MODULATION OF CHEMOKINE RECEPTOR ACTIVITY Virochem Pharma Inc. (CA) 2007-04-25 EP claimed
EP-1761542-A2 OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2007-03-14 EP claimed
US-7164019-B2 Such as cyclopentanecarboxylic acid {(S)-1-phenyl-3-[5-(pyridine-3-carbonyl)-hexahydro-pyrrolo[3,4-c]pyrrol-2-yl]-propyl}-amide; antagonists of chemokine receptors, useful for treating/preventing human immunodeficiency virus infection, AIDS or ARC ROCHE PALO ALTO LLC (US) 2007-01-16 US claimed
WO-2006060919-A1 NOVEL SPIROTROPANE COMPOUNDS AND METHODS FOR THE MODULATION OF CHEMOKINE RECEPTOR ACTIVITY VIROCHEM PHARMA INC. (CA) 2006-06-15 WO claimed
US-20060014767-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2006-01-19 US claimed
WO-2005121145-A2 OCTAHYDRO-PYRROLO[3,4-C] DERIVATIVES AND THEIR USE AS ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2005-12-22 WO claimed
US-20050075326-A1 Spiro compounds and methods for the modulation of chemokine receptor activity VIROCHEM PHARMA INC (CA) 2005-04-07 US claimed
US-20050075360-A1 Spirohydantoin compounds and methods for the modulation of chemokine receptor activity VIRO CHEM PHARMA, INC. (CA) 2005-04-07 US claimed
WO-2005014519-A1 PROCESS FOR THE PREPARATION OF GEMINAL DIFLUOROALKANES HONEYWELL SPECIALTY CHEMICALS SEELZE GMBH (DE) 2005-02-17 WO claimed
WO-2005007656-A1 SPIRO COMPOUNDS AND METHODS FOR THE MODULATION OF CHEMOKINE RECEPTOR ACTIVITY VIROCHEM PHARMA INC. (CA) 2005-01-27 WO claimed

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-20050075326-A1 Spiro compounds and methods for the modulation of chemokine receptor activity CXCR1, CXCR4, CXCR2 TSHR 465/4885LMNA 3107/4885GRM2 2106/4885
US-20050075360-A1 Spirohydantoin compounds and methods for the modulation of chemokine receptor activity CXCR1, CXCR4, CXCR2 TSHR 365/4885LMNA 4228/4885GRM2 620/4885
US-20230203058-A1 MACROCYCLIC DIAMINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS ENTPD1, SLC29A1, ENTPD5 TSHR 778/4885LMNA 3959/4885GRM2 1515/4885
US-20060014767-A1 Heterocyclic antiviral compounds CCR5, ACKR3, CXCR1 TSHR 1209/4885LMNA 4348/4885GRM2 2004/4885

“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.