SCHEMBL969412

SCHEMBL969412

O=C(CCl)N1CCN(C2CCC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
KDM4E B2RXH2 3/20 0.51
HRH3 Q9Y5N1 8/20 0.51
LMNA P02545 1/20 0.47
POLB P06746 2/20 0.46
HSD17B10 Q99714 1/20 0.46
PHGDH O43175 1/20 0.46
MGLL Q99685 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL599149 0.82 HRH3 (0.49) ALDH1A1HRH3LMNA
SCHEMBL9279972 0.78 ALDH1A1 (0.64) ALDH1A1KDM4ELMNAPOLBHSD17B10
SCHEMBL8978116 0.78 ALDH1A1 (0.64) ALDH1A1KDM4ELMNAPOLBHSD17B10
SCHEMBL11844730 0.78
SCHEMBL27813833 0.77 HRH3 (0.61) ALDH1A1KDM4EHRH3POLBHSD17B10
SCHEMBL14035661 0.77 ALDH1A1 (0.55) ALDH1A1KDM4EHRH3LMNAPOLB
SCHEMBL3767689 0.77 KDM4E (0.55) ALDH1A1KDM4EHRH3POLBHSD17B10
SCHEMBL9963476 0.77 KDM4E (0.55) ALDH1A1KDM4EHRH3POLBHSD17B10
SCHEMBL3767809 0.76 SIGMAR1 (0.57) ALDH1A1KDM4EHRH3LMNAPOLB
SCHEMBL13453030 0.76 EPHX2 (0.54) ALDH1A1KDM4EHRH3LMNAPOLB

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3145312-B1 PESTICIDAL COMPOSITIONS AND RELATED METHODS DOW AGROSCIENCES LLC (US) 2019-11-20 EP disclosed
US-9504251-B2 Pesticidal compositions and related methods DOW AGROSCIENCES LLC (US) 2016-11-29 US disclosed
US-20150327551-A1 PESTICIDAL COMPOSITIONS AND RELATED METHODS CORTEVA AGRISCIENCE LLC 2015-11-19 US disclosed
US-20110082130-A1 PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES LIGAND PHARMACEUTICALS, INC. (US) 2011-04-07 US disclosed
US-20110082130-A1 PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES LIGAND PHARMACEUTICALS, INC. (US) 2011-04-07 US disclosed
US-20110082130-A1 PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES LIGAND PHARMACEUTICALS, INC. (US) 2011-04-07 US disclosed
EP-1998620-B1 PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES NEUROGEN CORP (US) 2011-01-12 EP disclosed
US-20110002855-A1 PIPERAZINYL OXOALKYL TETRAHYDRO-BETA-CARBOLINES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2011-01-06 US disclosed
US-7851474-B2 Dipiperazinyl ketones and related analogues NEUROGEN CORPORATION (US) 2010-12-14 US disclosed
US-7851474-B2 Dipiperazinyl ketones and related analogues NEUROGEN CORPORATION (US) 2010-12-14 US disclosed
EP-1909797-A2 DIPIPERAZINYL KETONES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2008-04-16 EP disclosed
US-20070232591-A1 Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues NEUROGEN CORPORATION 2007-10-04 US disclosed
US-20070232591-A1 Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues NEUROGEN CORPORATION 2007-10-04 US disclosed
US-20070232591-A1 Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues NEUROGEN CORPORATION 2007-10-04 US disclosed
WO-2007106349-A2 PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2007-09-20 WO disclosed
US-20070049571-A1 Dipiperazinyl ketones and related analogues NEUROGEN CORPORATION 2007-03-01 US disclosed
US-20070049571-A1 Dipiperazinyl ketones and related analogues NEUROGEN CORPORATION 2007-03-01 US disclosed
US-20070049571-A1 Dipiperazinyl ketones and related analogues NEUROGEN CORPORATION 2007-03-01 US disclosed
WO-2007016496-A2 DIPIPERAZINYL KETONES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2007-02-08 WO disclosed
WO-2007016496-A2 DIPIPERAZINYL KETONES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2007-02-08 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-20150327551-A1 PESTICIDAL COMPOSITIONS AND RELATED METHODS ACHE, MYH9, UNC119 ALDH1A1 1561/4885KDM4E 1088/4885HRH3 1467/4885
US-20110002855-A1 PIPERAZINYL OXOALKYL TETRAHYDRO-BETA-CARBOLINES AND RELATED ANALOGUES HRH3, HRH4, HRH1 ALDH1A1 812/4885KDM4E 3037/4885HRH3 1/4885
US-20070232591-A1 Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues HRH3, HRH4, HRH1 ALDH1A1 1229/4885KDM4E 2634/4885HRH3 1/4885
US-20110082130-A1 PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES HRH3, HRH4, HRH1 ALDH1A1 1229/4885KDM4E 2634/4885HRH3 1/4885
US-20070049571-A1 Dipiperazinyl ketones and related analogues HRH4, HRH3, HRH1 ALDH1A1 1210/4885KDM4E 534/4885HRH3 2/4885

“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.