SCHEMBL1845568

SCHEMBL1845568

OC1CCC(NCc2ccccc2)C1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 4/20 0.54
MEN1 O00255 1/20 0.54
RAB9A P51151 1/20 0.54
KMT2A Q03164 1/20 0.54
ACHE P22303 3/20 0.50
BACE1 P56817 3/20 0.50
BCHE P06276 2/20 0.50
FYN P06241 1/20 0.50
FUCA1 P04066 1/20 0.47
LTA4H P09960 1/20 0.47
KDM1A O60341 1/20 0.46
MAOA P21397 1/20 0.46
OPRM1 P35372 1/20 0.45
OPRL1 P41146 1/20 0.45

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
SCHEMBL14657362 0.89 GRIN2B (0.62) GRIN2BMEN1RAB9AKMT2AACHE
SCHEMBL5246474 0.89 GRIN2B (0.62) GRIN2BMEN1RAB9AKMT2AACHE
Hydrochloric Acid SCHEMBL5244788 0.87 MEN1 (0.66) GRIN2BMEN1RAB9AKMT2AACHE
SCHEMBL30257992 0.87 GRIN2B (0.55) GRIN2BMEN1RAB9AKMT2AACHE
SCHEMBL23912484 0.83 ACHE (0.48) MEN1RAB9AKMT2AACHEBACE1
SCHEMBL663239 0.82 GRIN2B (0.74) GRIN2BMEN1RAB9AKMT2AACHE
Methyl Alcohol SCHEMBL27513196 0.81 GRIN2B (0.67) GRIN2BMEN1RAB9AKMT2AACHE
Hydrochloric Acid SCHEMBL2550113 0.81 MEN1 (0.78) GRIN2BMEN1RAB9AKMT2AACHE
SCHEMBL24511684 0.80 FUCA1 (0.54) GRIN2BMEN1RAB9AKMT2AACHE
SCHEMBL24511683 0.80 FUCA1 (0.54) GRIN2BMEN1RAB9AKMT2AACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102186812-A Methods for preparing fluoroalkyl arylsulfinyl compounds and fluorinated compounds thereto UBE INDUSTRIES 2011-09-14 CN disclosed
US-20110190511-A1 Methods For Preparing Fluoroalkyl Arylsulfinyl Compounds And Fluorinated Compounds Thereto IM&T RESEARCH, INC. (US) 2011-08-04 US disclosed
EP-2323974-A1 METHODS FOR PREPARING FLUOROALKYL ARYLSULFINYL COMPOUNDS AND FLUORINATED COMPOUNDS THERETO Ube Industries, Ltd. (JP) 2011-05-25 EP disclosed
US-20100152463-A1 Methods for Preparing Fluoroalkyl Arylsulfinyl Compounds and Fluorinated Compounds Thereto IM&T RESEARCH, INC. (US) 2010-06-17 US disclosed
WO-2010022001-A1 METHODS FOR PREPARING FLUOROALKYL ARYLSULFINYL COMPOUNDS AND FLUORINATED COMPOUNDS THERETO IM&T RESEARCH, INC. (US) 2010-02-25 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 (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-20100152463-A1 Methods for Preparing Fluoroalkyl Arylsulfinyl Compounds and Fluorinated Compounds Thereto PFAS, AGPS, FDPS GRIN2B 3262/4885MEN1 2099/4885RAB9A 923/4885
US-20110190511-A1 Methods For Preparing Fluoroalkyl Arylsulfinyl Compounds And Fluorinated Compounds Thereto PFAS, AGPS, FDPS GRIN2B 2948/4885MEN1 1047/4885RAB9A 991/4885

“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.