Sugi Predict

Sugi Predict / Compounds / SCHEMBL3537491

SCHEMBL3537491

SCHEMBL3537491

CC(C)(C)OC(=O)N1CCC(c2ccccc2Sc2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.49
▸ MAPT P10636 4/20 0.48
▸ KDM4E B2RXH2 3/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ GPR119 Q8TDV5 4/20 0.47
▸ JAK2 O60674 1/20 0.46
▸ JAK3 P52333 1/20 0.46
▸ PTK2 Q05397 1/20 0.46
▸ P2RY14 Q15391 1/20 0.45
▸ TGFBR1 P36897 1/20 0.44
▸ PKM P14618 1/20 0.43
▸ STS P08842 1/20 0.43
▸ NAMPT P43490 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ THRB P10828 2/20 0.42
▸ GAA P10253 1/20 0.42

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
SCHEMBL13349784 0.89 GPR119 (0.53) MAPTKDM4ESMN1; SMN2GPR119JAK2
SCHEMBL3200239 0.88 GPR119 (0.52) MAPTKDM4ESMN1; SMN2GPR119JAK2
SCHEMBL3540342 0.87 MEN1 (0.51) MAPTSMN1; SMN2ALDH1A1GPR119JAK2
SCHEMBL3539794 0.85 GPR119 (0.45) MAPTKDM4ESMN1; SMN2ALDH1A1GPR119
SCHEMBL5742408 0.82 KDM4E (0.48) TRPV1MAPTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL4773741 0.79 MAPT (0.54) MAPTKDM4EGPR119P2RY14TGFBR1
SCHEMBL6321078 0.79 RBP4 (0.66) GPR119
SCHEMBL2297690 0.78 P2RY14 (0.64) MAPTKDM4EGPR119JAK2JAK3
SCHEMBL26118196 0.77 TRPV1 (0.53) TRPV1MAPTKDM4EGPR119JAK2
SCHEMBL27599678 0.76 GPR119 (0.55) MAPTKDM4ESMN1; SMN2ALDH1A1GPR119

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1095031-B1 ANTIVIRAL MACROCYCLIC COMPOUNDS GENZYME CORP (US) 2013-08-21 — — EP disclosed
US-7732463-B2 4-(2-phenylsulfanyl-phenyl)-piperidine derivatives as serotonin reuptake inhibitors H. LUNDBECK A/S (DK) 2010-06-08 — — US disclosed
US-7709486-B2 antiviral compounds 1,4,8,11-tetraazacyclotetradecane derivatives for against HIV-infected cells, to inhibit the binding by the natural ligand to its chemokine receptor; viricides GENZYME CORPORATION (US) 2010-05-04 — — US disclosed
US-20080287454-A1 CXCR4 ANTAGONISTS BRIDGER GARY J 2008-11-20 — — US disclosed
US-7414065-B2 Methods to modulate conditions mediated by the CXCR4 receptor GENZYME CORPORATION (US) 2008-08-19 — — US disclosed
US-20070060591-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2007-03-15 — — US disclosed
US-7160872-B2 Methods to treat conditions mediated by chemokine receptors ANORMED INC. (CA) 2007-01-09 — — US disclosed
US-20060100242-A1 such as 4-[2-(4-Chloro-phenylsulfanyl)-5-trifluoromethyl-phenyl]-piperidine, used as antidepressants and anxiolytic agents; treatment of panic and obsessive compulsive disorders H.LUNDBECK A/S (DK) 2006-05-11 — — US disclosed
EP-1626720-A1 4-(2-PHENYLSULFANYL-PHENYL)-PIPERIDINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS H. Lundbeck A/S (DK) 2006-02-22 — — EP disclosed
US-20050154005-A1 Methods to modulate conditions mediated by the CXCR4 receptor GENZYME CORPORATION 2005-07-14 — — US disclosed
US-6872714-B1 Methods to modulate conditions mediated by the CXCR4 receptor ANORMED INC. (CA) 2005-03-29 — — US disclosed
US-20040235814-A1 Methods to treat conditions mediated by chemokine receptors GENZYME CORPORATION 2004-11-25 — — US disclosed
WO-2004087156-A1 4-(2-PHENYLSULFANYL-PHENYL)-PIPERIDINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS H. LUNDBECK A/S (DK) 2004-10-14 — — WO disclosed
US-6756391-B2 CYCLIC POLYAMINES HAVING TOTAL 9-24 MEMBERS WHICH HAVE ACTIVITY IN AGAINST HIV-INFECTED CELLS AS WELL AS OTHER BIOLOGICAL ACTIVITY RELATED TO BINDING OF LIGANDS TO CHEMOKINE RECEPTORS ANORMED, INC. (CA) 2004-06-29 — — US disclosed
US-20030018189-A1 Cyclic polyamines having total 9-24 members which have activity in against HIV-infected cells as well as other biological activity related to binding of ligands to chemokine receptors GENZYME CORPORATION 2003-01-23 — — US disclosed
US-6506770-B1 Drawn to novel antiviral compounds, pharmaceutical compositions and their use. More specifically this invention is drawn to derivatives of monocyclic polyamines which have activity in standard tests against HIV-infected cells as well ANORMED, INC. 2003-01-14 — — 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 (2 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-20070060591-A1 Chemokine receptor binding heterocyclic compounds CCR5, ACKR3, CCR2 TRPV1 763/4885MAPT 4586/4885KDM4E 2128/4885
US-20060100242-A1 such as 4-[2-(4-Chloro-phenylsulfanyl)-5-trifluoromethyl-phenyl]-piperidine, used as antidepressants and anxiolytic agents; treatment of panic and obsessive compulsive disorders HTR4, HTR5A, TPH1 TRPV1 464/4885MAPT 2875/4885KDM4E 1091/4885

“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.