SCHEMBL970248

SCHEMBL970248

CC(C)N1CCN(C(=O)CN2CCc3c(sc4cc(C(=O)N(C)C)ccc34)C2)CC1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.36
KMT2A Q03164 2/20 0.35
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
MEN1 O00255 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
DRD2 P14416 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL967970 0.85 PARP1 (0.40) HRH3ESR1ESR2
SCHEMBL969746 0.78 HRH3 (0.41) HRH3
SCHEMBL13985958 0.77 MEN1 (0.36) HRH3KMT2AMEN1MAPT
SCHEMBL969428 0.73 HRH3 (0.35) HRH3KMT2AMEN1RXFP1
SCHEMBL968741 0.73 PARP1 (0.40) HRH3KMT2AESR1ESR2
SCHEMBL967991 0.73 PARP1 (0.40) HRH3KMT2AESR1ESR2
SCHEMBL970977 0.68 PARP1 (0.38) HRH3MEN1TDP1MAPT
SCHEMBL1016983 0.67 ELANE (0.37) HRH3KMT2AESR2MEN1MAPT
SCHEMBL1017654 0.67 ACACB (0.45) HRH3KMT2AMEN1KCNH2
SCHEMBL967361 0.66 ALDH1A1 (0.63) KMT2AMEN1MAPTDRD2

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 4 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
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 HRH3 1/4885KMT2A 1086/4885ESR1 3491/4885

“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.