SCHEMBL10970570

SCHEMBL10970570

O=C1CC(c2ccccc2)(c2ccccc2)C(=O)N1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.43
CYP2C9 P11712 3/20 0.41
BLM P54132 2/20 0.41
PMP22 Q01453 2/20 0.41
CACNA1F O60840 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HTR2A P28223 1/20 0.41
HRH1 P35367 1/20 0.41
SCN1A P35498 1/20 0.41
SCN4A P35499 1/20 0.41
CACNA1D Q01668 1/20 0.41
KCNH2 Q12809 1/20 0.41
CACNA1S Q13698 1/20 0.41
CACNA1C Q13936 1/20 0.41
SCN5A Q14524 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN3A Q9NY46 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41

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
Phosphoric Acid SCHEMBL28359864 0.91 BACE1 (0.38) BACE1CYP2C9BLMPMP22CACNA1F
SCHEMBL21157864 0.76 LMNA (0.50) BACE1ALDH1A1MAPTKCNH2KMT2A
SCHEMBL1568276 0.75 CYP19A1 (0.68) BACE1CYP2C9BLMPMP22CACNA1F
SCHEMBL9673557 0.75 AKR1B1 (0.45) AKR1B1
SCHEMBL22438572 0.75 BACE1 (0.41) BACE1CYP2C9BLMPMP22CACNA1F
SCHEMBL38654772 0.75 BACE1 (0.45) BACE1CYP2C9BLMPMP22CACNA1F
SCHEMBL15657386 0.74 CFTR (0.45) BACE1CYP2C9BLMPMP22CACNA1F
SCHEMBL10834099 0.74 PDK2 (0.50) BACE1ALDH1A1MAPTKCNH2KMT2A
SCHEMBL2308362 0.72 GRIN1 (0.51) BACE1CYP2C9BLMPMP22CACNA1F
SCHEMBL9194271 0.72 NPC1 (0.44) MAPTHTR2ATSHRTDP1AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230149390-A1 COMPOSITIONS FOR OPIATE AND OPIOID PREVENTION AND REVERSAL, AND METHODS OF THEIR USE TORRALVA MEDICAL THERAPEUTICS LLC (US) 2023-05-18 US disclosed
CN-114316447-A TPV material for vehicle and preparation method and application thereof 东风汽车集团股份有限公司 2022-04-12 CN disclosed
CN-113896685-A Indoleamine-2, 3-dioxygenase (IDO) inhibitors 益方生物科技(上海)股份有限公司 2022-01-07 CN disclosed
US-20210000958-A1 METHODS OF INCREASING SOLUBILITY OF POORLY SOLUBLE COMPOUNDS AND METHODS OF MAKING AND USING FORMULATIONS OF SUCH COMPOUND VIZURI HEALTH SCIENCES CONSUMER HEALTHCARE, INC. 2021-01-07 US disclosed
US-20170296668-A1 METHODS OF INCREASING SOLUBILITY OF POORLY SOLUBLE COMPOUNDS AND METHODS OF MAKING AND USING FORMULATIONS OF SUCH COMPOUND VIZURI HEALTH SCIENCES CONSUMER HEALTHCARE, INC. 2017-10-19 US disclosed
US-9730953-B2 Methods of increasing solubility of poorly soluble compounds and methods of making and using formulations of such compound VIZURI HEALTH SCIENCES LLC (US) 2017-08-15 US disclosed
US-9540330-B2 Oligomer-containing hydantoin compounds NEKTAR THERAPEUTICS (US) 2017-01-10 US disclosed
US-20160251244-A1 WATER TREATMENT SYSTEMS AND METHODS UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2016-09-01 US disclosed
CN-103804108-B A kind of method preparing primary amine 沈阳药科大学 2016-08-03 CN disclosed
US-20140199391-A1 METHODS OF INCREASING SOLUBILITY OF POORLY SOLUBLE COMPOUNDS AND METHODS OF MAKING AND USING FORMULATIONS OF SUCH COMPOUND API GENESIS, LLC (US) 2014-07-17 US disclosed
US-20140039020-A1 Oligomer-Containing Hydantoin Compounds NEKTAR THERAPEUTICS (US) 2014-02-06 US disclosed
US-8637569-B2 Methods of increasing solubility of poorly soluble compounds and methods of making and using formulations of such compounds API GENESIS, LLC (US) 2014-01-28 US disclosed
WO-2013001498-A1 AMIDOALKYLPIPERAZINYL DERIVATIVES FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES ADAMED SP. Z O.O. (PL) 2013-01-03 WO disclosed
US-4524206-A TREATMENT OF NERVOUS SYSTEM DISORDER; DRUG OVERDOSE REVERSAL MEAD JOHNSON & COMPANY (US) 1985-06-18 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 (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-20140199391-A1 METHODS OF INCREASING SOLUBILITY OF POORLY SOLUBLE COMPOUNDS AND METHODS OF MAKING AND USING FORMULATIONS OF SUCH COMPOUND ABCG2, CYP2F1, LSS BACE1 2502/4885CYP2C9 50/4885BLM 2301/4885
US-20210000958-A1 METHODS OF INCREASING SOLUBILITY OF POORLY SOLUBLE COMPOUNDS AND METHODS OF MAKING AND USING FORMULATIONS OF SUCH COMPOUND ABCG2, CYP2F1, LSS BACE1 2502/4885CYP2C9 50/4885BLM 2301/4885
US-20230149390-A1 COMPOSITIONS FOR OPIATE AND OPIOID PREVENTION AND REVERSAL, AND METHODS OF THEIR USE OPRD1, OPRM1, CHRNA1 BACE1 1210/4885CYP2C9 986/4885BLM 3737/4885
US-20140039020-A1 Oligomer-Containing Hydantoin Compounds HTT, NOD2, HAAO BACE1 1442/4885CYP2C9 673/4885BLM 1154/4885
US-20170296668-A1 METHODS OF INCREASING SOLUBILITY OF POORLY SOLUBLE COMPOUNDS AND METHODS OF MAKING AND USING FORMULATIONS OF SUCH COMPOUND ABCG2, CYP2F1, LSS BACE1 2502/4885CYP2C9 50/4885BLM 2301/4885

“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.