SCHEMBL3961265

SCHEMBL3961265

CC(C)(C)OC(=O)N1CCN(C(=O)C(c2ccccc2CCc2ccccc2)C2(O)CCCCC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
TSHR P16473 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.41
ACHE P22303 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
GPR119 Q8TDV5 2/20 0.39
LIPG Q9Y5X9 1/20 0.39
STS P08842 1/20 0.39
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
ESRRB O95718 1/20 0.38
ESR1 P03372 1/20 0.38
ESRRA P11474 1/20 0.38
ESRRG P62508 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL3961268 0.87 ATM (0.43) MEN1TSHRKMT2AACHEOPRD1
SCHEMBL3961033 0.85 ABCB1 (0.42) MEN1TSHRKMT2AALDH1A1ACHE
SCHEMBL3978738 0.82 PDK2 (0.42) MEN1TSHRKMT2AALDH1A1GPR119
SCHEMBL27662466 0.82 SLC6A2 (0.37) TSHRALDH1A1
SCHEMBL3961574 0.82 ESRRB (0.41) MEN1TSHRKMT2AALDH1A1GPR119
SCHEMBL3955530 0.81 BACE1 (0.42) MEN1TSHRKMT2AACHEGPR119
SCHEMBL3954879 0.81 BACE1 (0.42) MEN1TSHRKMT2AACHEGPR119
SCHEMBL3954330 0.81 BACE1 (0.42) MEN1TSHRKMT2AACHEGPR119
SCHEMBL3961026 0.81 TSHR (0.41) MEN1TSHRKMT2AALDH1A1ACHE
SCHEMBL3960326 0.81 KIT (0.42) ACHEOPRD1OPRK1GPR119

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 24 patents — showing the first 20. 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
EP-1687288-B1 SUBSTITUTED ARYL CYCLOALKANOL DERIVATIVES AND METHODS OF THEIR USE WYETH CORP (US) 2008-01-16 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
WO-2005037207-A2 ARYLALKYL-PIPERAZINE DERIVATIVES FOR THE TREATMENT OF CONDITIONS AMELIORATED BY MONOAMINE REUPTAKE INCLUDING VASOMOTOR SYMPTOMS (VMS) WYETH (US) 2005-04-28 WO disclosed
WO-2005037809-A1 SUBSTITUTED ARYL CYCLOALKANOL DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2005-04-28 WO disclosed
WO-2005037279-A1 1- 2’ (1, 4’-BIPERIDIN-1’-YL)-1- (PHENYL) -ETHYL CYCLOHEXANOL DERIVATIVES AS MONOAMINE REUPTAKE MODULATORS FOR THE TREATMENT OF VISOMOTOR SYMPTOMS 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 MEN1 3345/4885TSHR 2647/4885KMT2A 1752/4885
US-20050148595-A1 Arylalkyl-and cycloalkylalkyl-piperazine derivatives and methods of their use GLS, HTR5A, HTR3A MEN1 4337/4885TSHR 3150/4885KMT2A 1606/4885
US-20080153826-A1 SUBSTITUTED ARYL CYCLOALKANOL DERIVATIVES AND METHODS OF THEIR USE HTR3A, MAOA, GLS MEN1 3825/4885TSHR 2992/4885KMT2A 2024/4885
US-20050171115-A1 Alkanol and cycloalkanol-amine derivatives and methods of their use FAAH, HTR3A, MAOA MEN1 2057/4885TSHR 3091/4885KMT2A 1548/4885
US-20090227585-A1 SUBSTITUTED N-HETEROCYCLE DERIVATIVES AND METHODS OF THEIR USE MAOA, MAOB, SDHA MEN1 1418/4885TSHR 2959/4885KMT2A 1875/4885
US-20050234058-A1 Secondary amino-and cycloamino-cycloalkanol derivatives and methods of their use ASNS, GLS, GYS1 MEN1 2433/4885TSHR 3323/4885KMT2A 1886/4885
US-20050187251-A1 Substituted N-heterocycle derivatives and methods of their use MAOA, MAOB, SDHA MEN1 1418/4885TSHR 2959/4885KMT2A 1875/4885
US-20050192283-A1 Fused-aryl and heteroaryl derivatives and methods of their use COMT, MAOA, HTR3A MEN1 3326/4885TSHR 2018/4885KMT2A 1015/4885

“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.