SCHEMBL3960474

SCHEMBL3960474

O=C(NCc1ccc(C(F)(F)F)cc1)C(c1cccc(Br)c1)C1(O)CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.48
OPRM1 P35372 1/20 0.43
OPRL1 P41146 1/20 0.43
TACR1 P25103 1/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
TRPV1 Q8NER1 2/20 0.40
MCHR1 Q99705 1/20 0.40
CCR2 P41597 3/20 0.39
MTTP P55157 1/20 0.38
KIF11 P52732 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
SCHEMBL3954533 0.89 CNR2 (0.39)
SCHEMBL3955844 0.88 SLC6A2 (0.43) OPRM1OPRL1TACR1SLC6A2SLC6A4
SCHEMBL3955939 0.87 CYP2C9 (0.42)
SCHEMBL3958040 0.85 SLC6A2 (0.48) OPRM1OPRL1TACR1SLC6A2SLC6A4
SCHEMBL3961259 0.84 KMT2A (0.41)
SCHEMBL3961166 0.83 KLKB1 (0.44) MTORTACR1MCHR1
SCHEMBL3951075 0.82 CYP2C9 (0.44) OPRM1OPRL1SLC6A2SLC6A4
SCHEMBL13712079 0.80 SLC6A2 (0.49) MTOROPRM1OPRL1SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL3958193 0.79 SLC6A2 (0.48) MTORSLC6A2SLC6A4
SCHEMBL3955063 0.76 SLC1A2 (0.45)

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 18 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-1897950-A Fused aryl and heteroaryl derivatives and methods of use thereof WYETH CORP (US) 2007-01-17 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-1898222-A Substituted aryl cycloalkanol derivatives and methods of their use WYETH CORP (US) 2007-01-17 CN 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

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 MTOR 2994/4885OPRM1 215/4885OPRL1 40/4885
US-20050148595-A1 Arylalkyl-and cycloalkylalkyl-piperazine derivatives and methods of their use GLS, HTR5A, HTR3A MTOR 3380/4885OPRM1 195/4885OPRL1 17/4885
US-20080153826-A1 SUBSTITUTED ARYL CYCLOALKANOL DERIVATIVES AND METHODS OF THEIR USE HTR3A, MAOA, GLS MTOR 2784/4885OPRM1 227/4885OPRL1 59/4885
US-20050171115-A1 Alkanol and cycloalkanol-amine derivatives and methods of their use FAAH, HTR3A, MAOA MTOR 2409/4885OPRM1 178/4885OPRL1 73/4885
US-20090227585-A1 SUBSTITUTED N-HETEROCYCLE DERIVATIVES AND METHODS OF THEIR USE MAOA, MAOB, SDHA MTOR 1139/4885OPRM1 77/4885OPRL1 50/4885
US-20050234058-A1 Secondary amino-and cycloamino-cycloalkanol derivatives and methods of their use ASNS, GLS, GYS1 MTOR 1449/4885OPRM1 256/4885OPRL1 66/4885
US-20050187251-A1 Substituted N-heterocycle derivatives and methods of their use MAOA, MAOB, SDHA MTOR 1139/4885OPRM1 77/4885OPRL1 50/4885
US-20050192283-A1 Fused-aryl and heteroaryl derivatives and methods of their use COMT, MAOA, HTR3A MTOR 2921/4885OPRM1 90/4885OPRL1 38/4885

“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.