SCHEMBL3955063

SCHEMBL3955063

CN1CCC(O)(C(C(=O)NCc2ccccc2)c2cccc(Br)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 3/20 0.45
SLC1A3 P43003 1/20 0.43
SCN5A Q14524 2/20 0.41
SCN9A Q15858 2/20 0.41
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
CTSL P07711 1/20 0.38
CTSK P43235 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
HPGD P15428 1/20 0.38
SIRT6 Q8N6T7 1/20 0.38
SLC6A9 P48067 1/20 0.37

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
SCHEMBL3961259 0.88 KMT2A (0.41) SLC1A2SCN5ASCN9AL3MBTL1KMT2A
SCHEMBL3955939 0.87 CYP2C9 (0.42) SLC1A2SCN5ASCN9AKMT2AMEN1
SCHEMBL3959881 0.83 MEN1 (0.47) SLC1A2SLC1A3SCN5ASCN9AKDM4E
SCHEMBL3950290 0.82 SLC6A9 (0.39) KDM4ESLC6A9
SCHEMBL13712052 0.79 SLC6A2 (0.40)
SCHEMBL27682053 0.79 KDM4E (0.38) KDM4ESLC6A9
SCHEMBL3954533 0.78 CNR2 (0.39) POLB
Hydrochloric Acid SCHEMBL3954389 0.78 SLC6A2 (0.41)
SCHEMBL3951075 0.77 CYP2C9 (0.44)
SCHEMBL27655973 0.76 CHRM1 (0.40) KDM4ESLC6A9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227585-A1 SUBSTITUTED N-HETEROCYCLE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2009-09-10 US disclosed
US-7550485-B2 Substituted N-heterocycle derivatives and methods of their use WYETH (US) 2009-06-23 US disclosed
US-7550456-B2 Substituted aryl cycloalkanoyl derivatives and methods of their use WYETH (US) 2009-06-23 US disclosed
US-7524846-B2 Arylalkyl- and cycloalkylalkyl-piperazine derivatives and methods of their use WYETH (US) 2009-04-28 US disclosed
US-7491723-B2 Alkanol and cycloalkanol-amine derivatives and methods of their use WYETH (US) 2009-02-17 US disclosed
US-7419980-B2 Fused-aryl and heteroaryl derivatives and methods of their use WYETH (US) 2008-09-02 US disclosed
US-7402698-B2 Secondary amino-and cycloamino-cycloalkanol derivatives and methods of their use WYETH (US) 2008-07-22 US disclosed
US-20080153826-A1 SUBSTITUTED ARYL CYCLOALKANOL DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-06-26 US disclosed
US-7365076-B2 Substituted aryl cycloalkanol derivatives and methods of their use WYETH (US) 2008-04-29 US disclosed
CN-1972920-A Arylalkyl piperazine derivatives for the treatment of conditions ameliorated by monoamine reuptake including vasomotor symptoms WYETH CORP (US) 2007-05-30 CN disclosed
CN-1897946-A 1- 2' (1, 4'-biperidin-1'-yl)-1- (phenyl) -ethyl cyclohexanol derivatives as monoamine reuptake modulators for the treatment of visomotor symptoms WYETH CORP (US) 2007-01-17 CN disclosed
CN-1894226-A Arylalkyl- and cycloalkylalkyl-piperazine derivatives and methods of their use WYETH CORP (US) 2007-01-10 CN disclosed
EP-1678154-A1 ARYLALKYL- AND CYCLOALKYLALKYL-PIPERAZINE DERIVATIVES AND METHODS OF THEIR USE Wyeth (US) 2006-07-12 EP disclosed
US-20050234058-A1 Secondary amino-and cycloamino-cycloalkanol derivatives and methods of their use WYETH (US) 2005-10-20 US disclosed
US-20050192283-A1 Fused-aryl and heteroaryl derivatives and methods of their use WYETH (US) 2005-09-01 US disclosed
US-20050187251-A1 Substituted N-heterocycle derivatives and methods of their use WYETH (US) 2005-08-25 US disclosed
US-20050171115-A1 Alkanol and cycloalkanol-amine derivatives and methods of their use WYETH (US) 2005-08-04 US disclosed
US-20050148595-A1 Arylalkyl-and cycloalkylalkyl-piperazine derivatives and methods of their use WYETH (US) 2005-07-07 US disclosed
US-20050143579-A1 Substituted aryl cycloalkanol derivatives and methods of their use WYETH (US) 2005-06-30 US disclosed
WO-2005037807-A1 ARYLALKYL- AND CYCLOALKYLALKYL-PIPERAZINE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2005-04-28 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 (8 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-20050143579-A1 Substituted aryl cycloalkanol derivatives and methods of their use HTR3A, MAOA, FAAH SLC1A2 292/4885SLC1A3 331/4885SCN5A 1368/4885
US-20050148595-A1 Arylalkyl-and cycloalkylalkyl-piperazine derivatives and methods of their use GLS, HTR5A, HTR3A SLC1A2 143/4885SLC1A3 251/4885SCN5A 357/4885
US-20080153826-A1 SUBSTITUTED ARYL CYCLOALKANOL DERIVATIVES AND METHODS OF THEIR USE HTR3A, MAOA, GLS SLC1A2 188/4885SLC1A3 228/4885SCN5A 1795/4885
US-20050171115-A1 Alkanol and cycloalkanol-amine derivatives and methods of their use FAAH, HTR3A, MAOA SLC1A2 154/4885SLC1A3 143/4885SCN5A 1333/4885
US-20090227585-A1 SUBSTITUTED N-HETEROCYCLE DERIVATIVES AND METHODS OF THEIR USE MAOA, MAOB, SDHA SLC1A2 384/4885SLC1A3 692/4885SCN5A 633/4885
US-20050234058-A1 Secondary amino-and cycloamino-cycloalkanol derivatives and methods of their use ASNS, GLS, GYS1 SLC1A2 30/4885SLC1A3 40/4885SCN5A 2198/4885
US-20050187251-A1 Substituted N-heterocycle derivatives and methods of their use MAOA, MAOB, SDHA SLC1A2 384/4885SLC1A3 692/4885SCN5A 633/4885
US-20050192283-A1 Fused-aryl and heteroaryl derivatives and methods of their use COMT, MAOA, HTR3A SLC1A2 294/4885SLC1A3 551/4885SCN5A 1241/4885

“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.