SCHEMBL21404549

SCHEMBL21404549

O=C(O)NCCn1ccnc1C1CCOC1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.36
DRD2 P14416 5/20 0.36
DRD4 P21917 5/20 0.36
BRD4 O60885 2/20 0.33
KCNH2 Q12809 1/20 0.33
MTNR1A P48039 1/20 0.33
PDE1A P54750 1/20 0.32
PDE1B Q01064 1/20 0.32
PDE1C Q14123 1/20 0.32
BTK Q06187 1/20 0.32
NAMPT P43490 7/20 0.32
ESR1 P03372 1/20 0.31

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
SCHEMBL21404497 0.93 BRD4 (0.36) HTR1ADRD2DRD4BRD4KCNH2
SCHEMBL21404358 0.86 MTNR1A (0.37) KCNH2MTNR1ANAMPTESR1
SCHEMBL21419117 0.84 JAK2 (0.38) DRD2
SCHEMBL21404569 0.83 KCNH2 (0.37) KCNH2MTNR1AESR1
SCHEMBL21432777 0.82 PDE1C (0.34) BRD4KCNH2PDE1APDE1BPDE1C
SCHEMBL21419183 0.78 JAK2 (0.39) DRD2
SCHEMBL21404386 0.71 HTR1A (0.37) HTR1ADRD2DRD4KCNH2PDE1A
SCHEMBL26385227 0.71 EPHX1 (0.42) DRD2NAMPT
SCHEMBL3038961 0.70 ALDH1A1 (0.51) MTNR1ANAMPT
SCHEMBL21419084 0.69 EPHX1 (0.43) DRD2

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-11058688-B2 Imidazopiperazine inhibitors of transcription activating proteins BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-07-13 US disclosed
EP-3773587-A1 IMIDAZOPIPERAZINE INHIBITORS OF TRANSCRIPTION ACTIVATING PROTEINS Board of Regents, The University of Texas System (US) 2021-02-17 EP disclosed
WO-2019191667-A1 IMIDAZOPIPERAZINE INHIBITORS OF TRANSCRIPTION ACTIVATING PROTEINS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-10-03 WO disclosed
US-20190298729-A1 IMIDAZOPIPERAZINE INHIBITORS OF TRANSCRIPTION ACTIVATING PROTEINS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2019-10-03 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 (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-11058688-B2 Imidazopiperazine inhibitors of transcription activating proteins EP300, CREBBP, RBBP7 HTR1A 4334/4885DRD2 4798/4885DRD4 4752/4885
US-20190298729-A1 IMIDAZOPIPERAZINE INHIBITORS OF TRANSCRIPTION ACTIVATING PROTEINS EP300, CREBBP, RBBP7 HTR1A 4334/4885DRD2 4798/4885DRD4 4752/4885

“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.