SCHEMBL969761

SCHEMBL969761

CCOC(=O)N1CCc2c(sc3ncn(C)c(=O)c23)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 1.00
KDM4E B2RXH2 2/20 0.67
PKM P14618 1/20 0.67
ALDH1A1 P00352 2/20 0.58
LMNA P02545 1/20 0.57
MAPT P10636 1/20 0.57
HTT P42858 1/20 0.57
P2RX3 P56373 9/20 0.55
WEE1 P30291 1/20 0.53
POLB P06746 1/20 0.52
ESR2 Q92731 1/20 0.52
TP53 P04637 1/20 0.52
NPSR1 Q6W5P4 1/20 0.51
TSHR P16473 1/20 0.51
HSD17B10 Q99714 1/20 0.51

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
SCHEMBL969115 0.80 KDM4E (1.00) RXFP1KDM4EPKMALDH1A1LMNA
SCHEMBL967213 0.79 RXFP1 (0.66) RXFP1KDM4EPKMALDH1A1LMNA
SCHEMBL7673217 0.77 RXFP1 (0.63) RXFP1KDM4EPKMP2RX3POLB
SCHEMBL7670867 0.77 RXFP1 (0.62) RXFP1KDM4EPKMP2RX3POLB
SCHEMBL18358077 0.74 P2RX3 (0.66) RXFP1P2RX3
SCHEMBL968341 0.74 KDM4E (0.59) RXFP1KDM4EPKMALDH1A1LMNA
SCHEMBL968025 0.73 KDM4E (0.58) RXFP1KDM4EPKMALDH1A1LMNA
SCHEMBL969134 0.73 KDM4E (0.58) RXFP1KDM4EPKMALDH1A1LMNA
SCHEMBL969839 0.73 KDM4E (0.58) RXFP1KDM4EPKMALDH1A1LMNA
SCHEMBL2950082 0.72 ALDH1A1 (0.62) RXFP1KDM4EALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110002855-A1 PIPERAZINYL OXOALKYL TETRAHYDRO-BETA-CARBOLINES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2011-01-06 US disclosed
US-20110002855-A1 PIPERAZINYL OXOALKYL TETRAHYDRO-BETA-CARBOLINES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2011-01-06 US disclosed
US-20110002855-A1 PIPERAZINYL OXOALKYL TETRAHYDRO-BETA-CARBOLINES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2011-01-06 US disclosed
EP-2162451-A2 PIPERAZINYL OXOALKYL TETRAHYDRO-BETA-CARBOLINES AND RELATED ANALOGUES Neurogen Corporation (US) 2010-03-17 EP disclosed
WO-2009003003-A2 PIPERAZINYL OXOALKYL TETRAHYDRO-BETA-CARBOLINES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2008-12-31 WO disclosed
WO-2009003003-A2 PIPERAZINYL OXOALKYL TETRAHYDRO-BETA-CARBOLINES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2008-12-31 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 (1 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-20110002855-A1 PIPERAZINYL OXOALKYL TETRAHYDRO-BETA-CARBOLINES AND RELATED ANALOGUES HRH3, HRH4, HRH1 RXFP1 581/4885KDM4E 3037/4885PKM 1806/4885

“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.