SCHEMBL1015138

SCHEMBL1015138

CC(C)(C)OC(=O)CN1CCc2cc(Br)ccc2C1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 2/20 0.49
ACACB O00763 1/20 0.47
ESR2 Q92731 1/20 0.46
ABHD6 Q9BV23 2/20 0.46
PRMT5 O14744 4/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
SIGMAR1 Q99720 2/20 0.42
ASIC3 Q9UHC3 1/20 0.42
HSD17B3 P37058 1/20 0.41
DRD2 P14416 4/20 0.41

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
SCHEMBL31108108 1.00 CARM1 (0.49) CARM1ACACBESR2ABHD6PRMT5
SCHEMBL16126569 0.90 ABHD6 (0.44) CARM1ACACBESR2ABHD6HSD17B3
SCHEMBL12953718 0.86 ALDH1A1 (0.47) ESR2KDM4EMEN1ALDH1A1MAPT
SCHEMBL12952775 0.85 ESR2 (0.46) ESR2PRMT5MEN1ALDH1A1KMT2A
SCHEMBL24109370 0.84 CARM1 (0.50) CARM1ACACBABHD6PRMT5KDM4E
SCHEMBL2014179 0.83 DRD2 (0.56) PRMT5MEN1ALDH1A1MAPTKMT2A
SCHEMBL3842855 0.80 CARM1 (0.53) CARM1ACACBABHD6PRMT5KDM4E
SCHEMBL31108121 0.80 ABHD6 (0.41) ESR2ABHD6KDM4EMEN1ALDH1A1
SCHEMBL16126891 0.80 ABHD6 (0.42) CARM1ACACBESR2ABHD6PRMT5
SCHEMBL23810739 0.79 CARM1 (0.50) CARM1ACACBABHD6DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024222726-A1 DEGRADATION AGENT FOR CYCLIN-DEPENDENT KINASE (CDK) 12/13, COMPOSITION AND USE THEREOF 浙江大学 2024-10-31 WO 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-7795262-B2 Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues NEUROGEN CORPORATION (US) 2010-09-14 US disclosed
US-7795262-B2 Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues NEUROGEN CORPORATION (US) 2010-09-14 US disclosed
US-7795262-B2 Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues NEUROGEN CORPORATION (US) 2010-09-14 US disclosed
EP-1998620-A4 PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES NEUROGEN CORP (US) 2009-09-02 EP disclosed
EP-1998620-A2 PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES Neurogen Corporation (US) 2008-12-10 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
WO-2007106349-A2 PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2007-09-20 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-20070232591-A1 Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues HRH3, HRH4, HRH1 CARM1 1039/4885ACACB 3935/4885ESR2 1905/4885
US-20110082130-A1 PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES HRH3, HRH4, HRH1 CARM1 1039/4885ACACB 3935/4885ESR2 1905/4885

“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.