SCHEMBL3958296

SCHEMBL3958296

CC(C)(C)OC(=O)N1CCN(C(=O)C(c2ccc(OCc3ccccc3)c(C(F)(F)F)c2)C2(O)CCCCC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.42
TLR9 Q9NR96 4/20 0.40
TLR7 Q9NYK1 2/20 0.40
CCNT1 O60563 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CDK9 P50750 1/20 0.40
CCNA1 P78396 1/20 0.40
RXRA P19793 2/20 0.39
RXRB P28702 2/20 0.39
RXRG P48443 2/20 0.39
YAP1 P46937 3/20 0.39
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
PDK2 Q15119 1/20 0.38
ACHE P22303 1/20 0.38
KIT P10721 1/20 0.38
FLT3 P36888 1/20 0.38
P2RX7 Q99572 1/20 0.37
GPR119 Q8TDV5 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
SCHEMBL3954267 0.90 P2RX7 (0.42) TACR1TLR9TLR7CCNT1CCNA2
SCHEMBL3955851 0.90 CCNT1 (0.42) TACR1TLR9TLR7CCNT1CCNA2
SCHEMBL3952551 0.89 TLR9 (0.41) TACR1TLR9TLR7CCNT1CCNA2
SCHEMBL3954957 0.89 TLR9 (0.41) TACR1TLR9TLR7CCNT1CCNA2
SCHEMBL3956032 0.89 TLR9 (0.41) TACR1TLR9TLR7CCNT1CCNA2
SCHEMBL3956527 0.89 TLR9 (0.48) TLR9TLR7YAP1
SCHEMBL3953765 0.89 NPC1 (0.41) TLR9TLR7CCNT1CCNA2CDK2
SCHEMBL3952020 0.88 SLC6A2 (0.46) TACR1
SCHEMBL3961349 0.85 MAPT (0.41) TACR1CCNT1CCNA2CDK2CDK9
SCHEMBL3960664 0.85 MRGPRX4 (0.46) TACR1RXRARXRBRXRGGPR119

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 27 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
EP-1673084-B1 1-2' (1,4'-BIPERIDIN-1'-YL)-1-(PHENYL)-ETHYLCYCLOHEXANOL DERIVATIVES AS MONOAMINE REUPTAKE MODULATORS FOR THE TREATMENT OF VASOMOTOR SYMPTOMS WYETH CORP (US) 2008-07-09 EP 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
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
WO-2005037283-A1 FUSED-ARYL AND HETEROARYL 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 (7 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 TACR1 194/4885TLR9 3114/4885TLR7 2199/4885
US-20050148595-A1 Arylalkyl-and cycloalkylalkyl-piperazine derivatives and methods of their use GLS, HTR5A, HTR3A TACR1 155/4885TLR9 3416/4885TLR7 2515/4885
US-20080153826-A1 SUBSTITUTED ARYL CYCLOALKANOL DERIVATIVES AND METHODS OF THEIR USE HTR3A, MAOA, GLS TACR1 157/4885TLR9 2316/4885TLR7 1263/4885
US-20050171115-A1 Alkanol and cycloalkanol-amine derivatives and methods of their use FAAH, HTR3A, MAOA TACR1 221/4885TLR9 1908/4885TLR7 2048/4885
US-20090227585-A1 SUBSTITUTED N-HETEROCYCLE DERIVATIVES AND METHODS OF THEIR USE MAOA, MAOB, SDHA TACR1 382/4885TLR9 3426/4885TLR7 2347/4885
US-20050187251-A1 Substituted N-heterocycle derivatives and methods of their use MAOA, MAOB, SDHA TACR1 382/4885TLR9 3426/4885TLR7 2347/4885
US-20050192283-A1 Fused-aryl and heteroaryl derivatives and methods of their use COMT, MAOA, HTR3A TACR1 581/4885TLR9 4154/4885TLR7 3150/4885

“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.