SCHEMBL561544

SCHEMBL561544

CCCCCC1(N)CCCCC1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CETP P11597 3/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
TSHR P16473 2/20 0.32
THRB P10828 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
DNM1 Q05193 3/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL15375292 0.98 TSHR (0.36) CETPCNR1CNR2TSHRTHRB
SCHEMBL6062501 0.98 TSHR (0.36) CETPCNR1CNR2TSHRTHRB
SCHEMBL10685233 0.98 TSHR (0.36) CETPCNR1CNR2TSHRTHRB
SCHEMBL6061239 0.98 TSHR (0.36) CETPCNR1CNR2TSHRTHRB
SCHEMBL1485789 0.98 TSHR (0.36) CETPCNR1CNR2TSHRTHRB
SCHEMBL1485626 0.98 TSHR (0.36) CETPCNR1CNR2TSHRTHRB
SCHEMBL6063488 0.98 TSHR (0.36) CETPCNR1CNR2TSHRTHRB
SCHEMBL6061746 0.98 TSHR (0.36) CETPCNR1CNR2TSHRTHRB
SCHEMBL6061592 0.98 TSHR (0.36) CETPCNR1CNR2TSHRTHRB
SCHEMBL9211045 0.98 TSHR (0.36) CETPCNR1CNR2TSHRTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023201303-A2 SYSTEMS AND METHODS TO AUTOMATICALLY ADMINISTER A PSYCHOACTIVE SUBSTANCE TO AN AIRWAY OF A USER BASED ON A DETECTED EVENT OR CONDITION Green Sky Creations, LLC (US) 2023-10-19 WO claimed
WO-2023154450-A2 (AMPA-PAM)-NMDA RECEPTOR ANTAGONIST COMBINATION THERAPY FOR TREATMENT OF MENTAL CONDITIONS AND DISORDERS GILGAMESH PHARMACEUTICALS, INC. (US) 2023-08-17 WO claimed
EP-3278100-B1 METHODS AND USES COMPRISING SOLID PHASE EXTRACTION, DERIVATIZATION WITH CROWN ETHERS, AND MASS SPECTROMETRY TECAN SP INC (US) 2023-06-14 EP claimed
EP-3909585-A1 DOSING REGIMEN ASSOCIATED WITH LONG ACTING INJECTABLE PALIPERIDONE ESTERS Janssen Pharmaceutica NV (BE) 2021-11-17 EP claimed
US-20200384188-A1 SYSTEMS, DEVICES, FORMULATIONS AND METHODS FOR CONTROLLED DRUG DELIVERY BEXSON BIOMEDICAL, INC. 2020-12-10 US claimed
EP-3710079-A1 SYSTEMS, DEVICES, FORMULATIONS AND METHODS FOR CONTROLLED DRUG DELIVERY Bexson Biomedical, Inc. (US) 2020-09-23 EP claimed
US-20190293667-A1 Solid Phase Extraction, Derivatization with Crown Ethers, and Mass Spectrometry, Methods, Reagents and Kits TECAN SP, INC. (US) 2019-09-26 US claimed
US-10267775-B2 Extraction, derivatization, and quantification of analytes TECAN SP, INC. (US) 2019-04-23 US claimed
EP-3278100-A1 SOLID PHASE EXTRACTION, DERIVATIZATION WITH CROWN ETHERS, AND MASS SPECTROMETRY, METHODS, REAGENTS AND KITS Tecan SP, Inc. (US) 2018-02-07 EP claimed
US-20170128451-A1 DOSING REGIMEN ASSOCIATED WITH LONG ACTING INJECTABLE PALIPERIDONE ESTERS JANSSEN PHARMACEUTICA NV (BE) 2017-05-11 US claimed
EP-1009403-A1 METHOD FOR TREATING SCHIZOPHRENIA ELI LILLY AND COMPANY (US) 2000-06-21 EP claimed
WO-1998046225-A1 METHOD FOR TREATING SCHIZOPHRENIA ELI LILLY AND COMPANY (US) 1998-10-22 WO claimed
WO-1998046226-A1 METHOD FOR TREATING SCHIZOPHRENIA ELI LILLY AND COMPANY (US) 1998-10-22 WO claimed
US-5817657-A USING 2-METHYL-4-(4-METHYL-1-PIPERAZINYL)-10H-THIENO(2,3-B)(1,5)BENZ ODIAZEPINE ELI LILLY AND COMPANY (US) 1998-10-06 US claimed
US-5801171-A Use of 3, 5-diamino-6-(2,3-dichlorophenyl)-1, 2, 4-triazine isethionate for the treatment and prevention of dependence; tolerance and sensitization of drugs GLAXO WELLCOME INC (US) 1998-09-01 US claimed
WO-1998019674-A2 A METHOD FOR TREATING TENSION-TYPE HEADACHE HEAD EXPLORER APS (DK) 1998-05-14 WO claimed
EP-0396734-B1 PHARMACEUTICAL COMPOSITIONS FOR NEURO PROTECTION CONTAINING ARYLCYCLOHEXYLAMINES CENTRE NAT RECH SCIENT (FR) 1994-06-15 EP claimed
US-5179109-A Neuroprotection CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 1993-01-12 US claimed
EP-0396734-A1 PHARMACEUTICAL COMPOSITIONS FOR NEURO PROTECTION CONTAINING ARYLCYCLOHEXYLAMINES. CENTRE NAT RECH SCIENT (FR) 1990-11-14 EP claimed
WO-1990005524-A2 PHARMACEUTICAL COMPOSITIONS FOR NEURO PROTECTION CONTAINING ARYLCYCLOHEXYLAMINES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 1990-05-31 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 (2 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-20170128451-A1 DOSING REGIMEN ASSOCIATED WITH LONG ACTING INJECTABLE PALIPERIDONE ESTERS LPXN, GLP1R, SSTR4 CETP 743/4885CNR1 1170/4885CNR2 1470/4885
US-20190293667-A1 Solid Phase Extraction, Derivatization with Crown Ethers, and Mass Spectrometry, Methods, Reagents and Kits CYP2C8, CES2, UGT1A8 CETP 54/4885CNR1 822/4885CNR2 837/4885

“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.