SCHEMBL1999758

SCHEMBL1999758

O=C(O)NC1CCN(c2ccc(F)cn2)CC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.51
TDO2 P48775 1/20 0.49
GPR119 Q8TDV5 1/20 0.48
CA12 O43570 4/20 0.47
CA1 P00915 4/20 0.47
CA2 P00918 4/20 0.47
CA4 P22748 4/20 0.47
CA7 P43166 4/20 0.47
CA9 Q16790 4/20 0.47
CHRM4 P08173 1/20 0.47
HPGDS O60760 4/20 0.46
CKS1B P61024 2/20 0.44
SKP1 P63208 2/20 0.44
SKP2 Q13309 2/20 0.44
SMO Q99835 2/20 0.44
USP30 Q70CQ3 2/20 0.44

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
SCHEMBL1729788 0.90 TDO2 (0.53) TDO2CA12CA1CA2CA4
SCHEMBL30567236 0.88 TDO2 (0.51) HRH3TDO2GPR119CA12CA1
SCHEMBL21551734 0.84 DEGS1 (0.49) HRH3HPGDSCKS1BSKP1SKP2
SCHEMBL2145523 0.84 HRH3 (0.48) HRH3TDO2CA12CA1CA2
SCHEMBL31140038 0.83 AKR1C3 (0.50) HRH3HPGDSCKS1BSKP1SKP2
SCHEMBL1728874 0.83 AKR1C3 (0.50) HRH3HPGDSCKS1BSKP1SKP2
SCHEMBL2006084 0.83 DEGS1 (0.51) HRH3GPR119CKS1BSKP1SKP2
SCHEMBL2000948 0.83 KDM4E (0.65) CA12CA1CA2CA4CA7
SCHEMBL21360327 0.81 CKS1B (0.60) HRH3TDO2GPR119HPGDSCKS1B
SCHEMBL31722428 0.81 CKS1B (0.60) HRH3TDO2GPR119HPGDSCKS1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3538091-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF Navitor Pharmaceuticals, Inc. (US) 2019-09-18 EP disclosed
WO-2018089499-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed
US-7960380-B2 Non-anilinic derivatives of isothiazol-3(2H)-one 1,1-dioxides as liver X receptor modulators ASTRAZENECA AB (SE) 2011-06-14 US disclosed
US-20100227847-A1 Non-Anilinic Derivatives Of Isothiazol-3(2H)-one 1,1-Dioxides As Liver X Receptor Modulators ASTRAZENECA AB (SE) 2010-09-09 US disclosed
US-7723333-B2 Non-anilinic derivatives of isothiazol-3(2H)-one 1,1-dioxides as liver X receptor modulators ASTRAZENECA AB (SE) 2010-05-25 US disclosed
US-20090005353-A1 Non-Anilinic Derivatives of Isothiazol-3(2H)-one 1,1-Dioxides as Liver X Receptor Modulators ASTRAZENECA AB (SE) 2009-01-01 US disclosed
EP-1838687-A1 NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS AstraZeneca AB (SE) 2007-10-03 EP disclosed
WO-2006073366-A1 NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2006-07-13 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 (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-20090005353-A1 Non-Anilinic Derivatives of Isothiazol-3(2H)-one 1,1-Dioxides as Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 HRH3 664/4885TDO2 3244/4885GPR119 8/4885
US-20100227847-A1 Non-Anilinic Derivatives Of Isothiazol-3(2H)-one 1,1-Dioxides As Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 HRH3 664/4885TDO2 3244/4885GPR119 8/4885

“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.