SCHEMBL969428

SCHEMBL969428

Cc1ncc2c3c(sc2n1)CN(CC(=O)N1CCN(C(C)C)CC1)CC3

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CNR1 P21554 2/20 0.33
GPR55 Q9Y2T6 2/20 0.33
SIGMAR1 Q99720 3/20 0.33
BRD4 O60885 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
GAA P10253 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
RXFP1 Q9HBX9 2/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL13985958 0.85 MEN1 (0.36) HRH3MEN1KMT2ASIGMAR1BRD4
SCHEMBL966767 0.84 PARP1 (0.40) HRH3MEN1KMT2ACNR1GPR55
SCHEMBL970417 0.84 PARP1 (0.40) HRH3MEN1KMT2ACNR1GPR55
SCHEMBL967160 0.83 PARP1 (0.40) MEN1KMT2ACNR1GPR55SIGMAR1
SCHEMBL967693 0.82 CNR1 (0.34) MEN1KMT2ACNR1GPR55SIGMAR1
SCHEMBL972606 0.79 SCN9A (0.37) CNR1GPR55KDM4EALDH1A1HPGD
SCHEMBL12920046 0.78 CNR1 (0.33) MEN1KMT2ACNR1GPR55SIGMAR1
SCHEMBL971597 0.77 PARP1 (0.39) HRH3MEN1KMT2ATMEM97KDM4E
SCHEMBL971385 0.75 PARP1 (0.39) HRH3MEN1KMT2ABRD4GAA
SCHEMBL968565 0.73 PARP1 (0.39) HRH3MEN1KMT2AKDM4EALDH1A1

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 3 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

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 1/4885MEN1 3755/4885KMT2A 1086/4885

“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.