SCHEMBL4052871

SCHEMBL4052871

CN1CCN(C(=O)C(c2cccc(Oc3ccccc3)c2)C2(O)CCCCC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 4/20 0.50
SLC6A2 P23975 7/20 0.48
CHRM3 P20309 3/20 0.46
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PTGS1 P23219 1/20 0.43

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
SCHEMBL3956027 0.90 POLB (0.52) CHRM1SLC6A2CHRM3POLBL3MBTL1
SCHEMBL3954741 0.87 ATM (0.42) SLC6A2PTGS1
SCHEMBL3955849 0.84 L3MBTL3 (0.48) CHRM1L3MBTL1
SCHEMBL3961812 0.83 KDM2B (0.44) SLC6A2CHRM3
SCHEMBL3960515 0.83 PKM (0.43)
SCHEMBL4050433 0.81 PTGS1 (0.54) CHRM1SLC6A2CHRM3PTGS1
SCHEMBL4508910 0.81 LMNA (0.38) CHRM1SLC6A2CHRM3PTGS1
SCHEMBL4655548 0.81 MAPT (0.38) CHRM1SLC6A2CHRM3PTGS1
SCHEMBL5700645 0.78 KMT2A (0.46)
SCHEMBL28763192 0.78 SLC6A2 (0.52) SLC6A2

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 17 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
EP-1687288-B1 SUBSTITUTED ARYL CYCLOALKANOL DERIVATIVES AND METHODS OF THEIR USE WYETH CORP (US) 2008-01-16 EP 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 CHRM1 1585/4885SLC6A2 125/4885CHRM3 427/4885
US-20050148595-A1 Arylalkyl-and cycloalkylalkyl-piperazine derivatives and methods of their use GLS, HTR5A, HTR3A CHRM1 2069/4885SLC6A2 108/4885CHRM3 481/4885
US-20080153826-A1 SUBSTITUTED ARYL CYCLOALKANOL DERIVATIVES AND METHODS OF THEIR USE HTR3A, MAOA, GLS CHRM1 1147/4885SLC6A2 53/4885CHRM3 278/4885
US-20050171115-A1 Alkanol and cycloalkanol-amine derivatives and methods of their use FAAH, HTR3A, MAOA CHRM1 659/4885SLC6A2 115/4885CHRM3 194/4885
US-20090227585-A1 SUBSTITUTED N-HETEROCYCLE DERIVATIVES AND METHODS OF THEIR USE MAOA, MAOB, SDHA CHRM1 1332/4885SLC6A2 71/4885CHRM3 1108/4885
US-20050234058-A1 Secondary amino-and cycloamino-cycloalkanol derivatives and methods of their use ASNS, GLS, GYS1 CHRM1 943/4885SLC6A2 146/4885CHRM3 270/4885
US-20050187251-A1 Substituted N-heterocycle derivatives and methods of their use MAOA, MAOB, SDHA CHRM1 1332/4885SLC6A2 71/4885CHRM3 1108/4885
US-20050192283-A1 Fused-aryl and heteroaryl derivatives and methods of their use COMT, MAOA, HTR3A CHRM1 1911/4885SLC6A2 63/4885CHRM3 853/4885

“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.