SCHEMBL4369293

SCHEMBL4369293

O=C(O)NC1CCN(C(=O)C(c2cccc(-c3ccc(Cl)c(Cl)c3)c2)C2(O)CCCCC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.44
CNR2 P34972 6/20 0.44
EPHX2 P34913 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
EIF4E P06730 1/20 0.36
SLC6A3 Q01959 2/20 0.36
LMNA P02545 3/20 0.36
F10 P00742 1/20 0.36
TMPRSS6 Q8IU80 1/20 0.36
ST14 Q9Y5Y6 1/20 0.36
SIGMAR1 Q99720 2/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
USP2 O75604 1/20 0.35
SLC6A2 P23975 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
SCHEMBL4378816 0.92 CNR1 (0.46) CNR1CNR2EPHX2MEN1KMT2A
SCHEMBL3988967 0.87 CNR1 (0.43) CNR1CNR2MEN1KMT2ASLC6A3
SCHEMBL5717825 0.85 CNR1 (0.40) CNR1CNR2EPHX2MEN1KMT2A
SCHEMBL3983902 0.84 LMNA (0.38) CNR1CNR2MEN1KMT2ALMNA
SCHEMBL3989980 0.84 SIGMAR1 (0.39) CNR1CNR2EPHX2SLC6A3LMNA
SCHEMBL4367792 0.83 SLC6A2 (0.48) SLC6A3SLC6A2
SCHEMBL4369488 0.83 CNR1 (0.39) CNR1CNR2EPHX2KMT2ALMNA
SCHEMBL3956007 0.82 CNR1 (0.34) CNR1CNR2LMNAF10TMPRSS6
SCHEMBL3987300 0.81 SLC6A2 (0.42) CNR1CNR2MEN1KMT2ASLC6A3
SCHEMBL3984639 0.81 SLC6A2 (0.42) CNR1CNR2MEN1KMT2ASLC6A3

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-7550456-B2 Substituted aryl cycloalkanoyl derivatives and methods of their use WYETH (US) 2009-06-23 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
EP-1678154-A1 ARYLALKYL- AND CYCLOALKYLALKYL-PIPERAZINE DERIVATIVES AND METHODS OF THEIR USE Wyeth (US) 2006-07-12 EP disclosed
EP-1673084-A1 1-2' (1,4'-BIPERIDIN-1'-YL)-1-(PHENYL)-ETHYLCYCLOHEXANOL DERIVATIVES AS MONOAMINE REUPTAKE MODULATORS FOR THE TREATMENT OF VASOMOTOR SYMPTOMS Wyeth (US) 2006-06-28 EP disclosed
EP-1673090-A1 FUSED-ARYL AND HETEROARYL DERIVATIVES AND METHODS OF THEIR USE Wyeth (US) 2006-06-28 EP disclosed
US-20050234058-A1 Secondary amino-and cycloamino-cycloalkanol derivatives and methods of their use WYETH (US) 2005-10-20 US disclosed
US-20050171115-A1 Alkanol and cycloalkanol-amine derivatives and methods of their use WYETH (US) 2005-08-04 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-2005037283-A1 FUSED-ARYL AND HETEROARYL 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 (5 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 CNR1 66/4885CNR2 28/4885EPHX2 1590/4885
US-20080153826-A1 SUBSTITUTED ARYL CYCLOALKANOL DERIVATIVES AND METHODS OF THEIR USE HTR3A, MAOA, GLS CNR1 50/4885CNR2 22/4885EPHX2 1811/4885
US-20050171115-A1 Alkanol and cycloalkanol-amine derivatives and methods of their use FAAH, HTR3A, MAOA CNR1 117/4885CNR2 48/4885EPHX2 1301/4885
US-20090227585-A1 SUBSTITUTED N-HETEROCYCLE DERIVATIVES AND METHODS OF THEIR USE MAOA, MAOB, SDHA CNR1 136/4885CNR2 74/4885EPHX2 1464/4885
US-20050234058-A1 Secondary amino-and cycloamino-cycloalkanol derivatives and methods of their use ASNS, GLS, GYS1 CNR1 234/4885CNR2 85/4885EPHX2 2024/4885

“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.