SCHEMBL163604

SCHEMBL163604

O=[C]c1c(F)cccc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 3/20 0.38
NFKB1 P19838 1/20 0.35
HSD11B1 P28845 1/20 0.35
PTGS2 P35354 1/20 0.35
CES1 P23141 2/20 0.34
PTGES2 Q9H7Z7 1/20 0.34
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NFE2L2 Q16236 2/20 0.33
KAT6A Q92794 1/20 0.33
TRPA1 O75762 1/20 0.33
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
CES2 O00748 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL16401808 0.87 NFKB1 (0.39) NFKB1CES1KDM4ESMN1; SMN2HSD17B10
SCHEMBL95707 0.79 CES2 (0.42) CES1KDM4EHSD17B10NFE2L2CES2
SCHEMBL646513 0.79 L3MBTL1 (0.44) SLC22A12KDM4EHSD17B10LMNAGAA
SCHEMBL28248522 0.79 HSD11B1 (0.35) SLC22A12HSD11B1PTGS2CES1KDM4E
SCHEMBL909839 0.78 SLC22A12 (0.44) SLC22A12NFKB1HSD11B1PTGS2CES1
SCHEMBL7081521 0.73 HSD11B1 (0.41) HSD11B1CES1KDM4EGAAALDH1A1
SCHEMBL7705802 0.71 CES2 (0.36) CES1KDM4EHSD17B10CES2ALDH1A1
SCHEMBL3751767 0.71 SLC22A12 (0.41) SLC22A12NFKB1HSD11B1PTGS2CES1
SCHEMBL2047141 0.71 EPHX2 (0.38) SLC22A12CES1KDM4ESMN1; SMN2HSD17B10
SCHEMBL158739 0.71 GABRA1 (0.40) SLC22A12HSD11B1PTGS2CES1KDM4E

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8034936-B2 Spirocyclic cyclohexane compounds useful to treat substance dependency GRUENENTHAL GMBH (DE) 2011-10-11 US claimed
US-20110053970-A1 Spirocyclic Cyclohexane Compounds Useful To Treat Substance Dependency GRUENENTHAL GMBH (DE) 2011-03-03 US claimed
US-6150378-A 1-((1-HALO-SUBSTITUTEDBENZOYLAMINO)-2-PHENYLETHYL)-CARBONYL -CARBONYLAMINO),2-PHENYL OR PYRID-2-YLSULFAMIDO)ETHANE DERIVATIVES; MUSCULAR DYSTROPHY, NEURODEGENERATION, STROKE, ALZHEIMER'S, AMYOTROPHY, MOTOR NEURON DAMAGE, CNS INJURY CEPHALON, INC. (US) 2000-11-21 US claimed
EP-3423451-B1 INHIBITORS OF WDR5 PROTEIN-PROTEIN BINDING PROPELLON THERAPEUTICS INC (CA) 2022-08-17 EP disclosed
WO-2015008234-A1 BICYCLIC HETEROCYCLIC COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2015-01-22 WO disclosed
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
EP-2611783-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-07-10 EP disclosed
WO-2012029032-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-03-08 WO disclosed
WO-2008028094-A1 COMPOUNDS AS CB2 CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2008-03-06 WO disclosed
US-20060069037-A1 Peptide-containing alpha-ketoamide cysteine and serine protease inhibitors CEPHALON, INC. (US) 2006-03-30 US disclosed
US-7001907-B2 Peptide-containing α-ketoamide cysteine and serine protease inhibitors CEPHAON, INC. (US) 2006-02-21 US disclosed
US-6703368-B2 ENZYME INHIBITOR; FOR TREATMENT OF NERVOUS SYSTEM DISORDERS, STROKE, ALZHEIMER'S, PARKINSON'S AND HUNTINGTON'S DISEASES, AMYOTROPHY LATERAL SCLEROSIS, NEURONAL DAMAGE, CENTRAL NERVOUS SYSTEM INJURIES, ARTHRITIS, INFLAMMATION AND EPILEPSY CEPHALON, INC. 2004-03-09 US disclosed
US-6288231-B1 ENZYME INHIBITORS CEPHALON, INC. 2001-09-11 US disclosed
US-6150378-A 1-((1-HALO-SUBSTITUTEDBENZOYLAMINO)-2-PHENYLETHYL)-CARBONYL -CARBONYLAMINO),2-PHENYL OR PYRID-2-YLSULFAMIDO)ETHANE DERIVATIVES; MUSCULAR DYSTROPHY, NEURODEGENERATION, STROKE, ALZHEIMER'S, AMYOTROPHY, MOTOR NEURON DAMAGE, CNS INJURY CEPHALON, INC. (US) 2000-11-21 US disclosed
EP-0768301-A1 N-(2-substituted-3-(2-aminoethyl)-1H-indol-5-yl)-amides as new 5-HT1F agonists ELI LILLY AND COMPANY (US) 1997-04-16 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 (3 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-20130231327-A1 Substituted Spiro-Amide Compounds BDKRB1, BDKRB2, REN SLC22A12 3743/4885NFKB1 516/4885HSD11B1 1789/4885
US-20110053970-A1 Spirocyclic Cyclohexane Compounds Useful To Treat Substance Dependency TACR2, OPRK1, OPRD1 SLC22A12 568/4885NFKB1 3345/4885HSD11B1 173/4885
US-20060069037-A1 Peptide-containing alpha-ketoamide cysteine and serine protease inhibitors PREP, DNPEP, VIP SLC22A12 2674/4885NFKB1 3083/4885HSD11B1 1121/4885

“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.