SCHEMBL3961349

SCHEMBL3961349

CC(C)(C)OC(=O)N1CCN(C(=O)C(c2ccc(OCc3ccc(C(F)(F)F)cc3)c(F)c2)C2(O)CCCCC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
TACR1 P25103 1/20 0.40
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
S1PR5 Q9H228 1/20 0.39
GPR119 Q8TDV5 6/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
MC4R P32245 1/20 0.37
PREP P48147 1/20 0.36
ENPP2 Q13822 1/20 0.36
ATXN2 Q99700 1/20 0.36
YAP1 P46937 1/20 0.36
FFAR1 O14842 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
CCNT1 O60563 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35

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
SCHEMBL3958414 0.93 KMT2A (0.43) GPR119CCNT1CCNA2CDK2CDK9
SCHEMBL3955851 0.92 CCNT1 (0.42) TACR1S1PR5GPR119MRGPRX4YAP1
SCHEMBL3954976 0.91 MAPT (0.41) MAPTTACR1GPR119MRGPRX4YAP1
SCHEMBL3960664 0.91 MRGPRX4 (0.46) MAPTTACR1GPR119MRGPRX4PREP
SCHEMBL3961352 0.88 HRH3 (0.46) MAPTTACR1GPR119YAP1FFAR1
SCHEMBL3958296 0.85 TACR1 (0.42) TACR1GPR119YAP1RXRARXRB
SCHEMBL3954267 0.84 P2RX7 (0.42) TACR1GPR119YAP1RXRARXRB
SCHEMBL3958223 0.84 MRGPRX4 (0.46) S1PR1S1PR5MRGPRX4
SCHEMBL3954957 0.82 TLR9 (0.41) TACR1GPR119YAP1RXRARXRB
SCHEMBL3956527 0.82 TLR9 (0.48) MAPTYAP1

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 MAPT 3597/4885TACR1 194/4885S1PR1 1829/4885
US-20050148595-A1 Arylalkyl-and cycloalkylalkyl-piperazine derivatives and methods of their use GLS, HTR5A, HTR3A MAPT 4356/4885TACR1 155/4885S1PR1 1295/4885
US-20080153826-A1 SUBSTITUTED ARYL CYCLOALKANOL DERIVATIVES AND METHODS OF THEIR USE HTR3A, MAOA, GLS MAPT 2757/4885TACR1 157/4885S1PR1 1701/4885
US-20050171115-A1 Alkanol and cycloalkanol-amine derivatives and methods of their use FAAH, HTR3A, MAOA MAPT 2807/4885TACR1 221/4885S1PR1 887/4885
US-20090227585-A1 SUBSTITUTED N-HETEROCYCLE DERIVATIVES AND METHODS OF THEIR USE MAOA, MAOB, SDHA MAPT 3719/4885TACR1 382/4885S1PR1 3771/4885
US-20050234058-A1 Secondary amino-and cycloamino-cycloalkanol derivatives and methods of their use ASNS, GLS, GYS1 MAPT 3452/4885TACR1 177/4885S1PR1 3163/4885
US-20050187251-A1 Substituted N-heterocycle derivatives and methods of their use MAOA, MAOB, SDHA MAPT 3719/4885TACR1 382/4885S1PR1 3771/4885
US-20050192283-A1 Fused-aryl and heteroaryl derivatives and methods of their use COMT, MAOA, HTR3A MAPT 2907/4885TACR1 581/4885S1PR1 4283/4885

“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.