SCHEMBL4362932

SCHEMBL4362932

O=C(O)NC1CCN(C(=O)C(c2cccc3ccccc23)C2(O)CCCCC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.42
DPP7 Q9UHL4 5/20 0.42
KCNH2 Q12809 1/20 0.42
CASR P41180 7/20 0.42
METAP2 P50579 1/20 0.39
METAP1 P53582 1/20 0.39
PREP P48147 4/20 0.39
DRD4 P21917 1/20 0.39
EPHX1 P07099 1/20 0.39
CYP2D6 P10635 1/20 0.39
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL4365476 0.97 DPP4 (0.43) DPP4DPP7KCNH2CASRPREP
SCHEMBL3986023 0.94 CASR (0.43) DPP4DPP7KCNH2CASRMETAP2
SCHEMBL5793610 0.94 CASR (0.43) DPP4DPP7KCNH2CASRMETAP2
SCHEMBL3986870 0.94 CASR (0.43) DPP4DPP7KCNH2CASRMETAP2
SCHEMBL27662391 0.83 ALDH1A1 (0.38) CASRMETAP2METAP1
SCHEMBL27664363 0.83 L3MBTL3 (0.47)
SCHEMBL3992091 0.82 DRD4 (0.44) DRD4EPHX1SIGMAR1
SCHEMBL3983897 0.81 KMT2A (0.37) DRD4SIGMAR1
SCHEMBL3952962 0.79 CTSG (0.37) CASRMETAP2METAP1CYP2D6
SCHEMBL3957639 0.79 HSD17B10 (0.47)

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 21 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-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-1687288-A1 SUBSTITUTED ARYL CYCLOALKANOL DERIVATIVES AND METHODS OF THEIR USE Wyeth (US) 2006-08-09 EP disclosed
EP-1678154-A1 ARYLALKYL- AND CYCLOALKYLALKYL-PIPERAZINE DERIVATIVES AND METHODS OF THEIR USE Wyeth (US) 2006-07-12 EP disclosed
EP-1673059-A2 ALKANOL AND CYCLOALKANOL-AMINE DERIVATIVES AND METHODS OF THEIR USE Wyeth (US) 2006-06-28 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
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-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-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 DPP4 1096/4885DPP7 1140/4885KCNH2 730/4885
US-20080153826-A1 SUBSTITUTED ARYL CYCLOALKANOL DERIVATIVES AND METHODS OF THEIR USE HTR3A, MAOA, GLS DPP4 609/4885DPP7 680/4885KCNH2 944/4885
US-20050171115-A1 Alkanol and cycloalkanol-amine derivatives and methods of their use FAAH, HTR3A, MAOA DPP4 1491/4885DPP7 1688/4885KCNH2 768/4885
US-20090227585-A1 SUBSTITUTED N-HETEROCYCLE DERIVATIVES AND METHODS OF THEIR USE MAOA, MAOB, SDHA DPP4 1454/4885DPP7 2569/4885KCNH2 946/4885
US-20050234058-A1 Secondary amino-and cycloamino-cycloalkanol derivatives and methods of their use ASNS, GLS, GYS1 DPP4 1976/4885DPP7 1961/4885KCNH2 1346/4885

“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.