SCHEMBL21404533

SCHEMBL21404533

O=C(O)NCCn1cc(I)nc1C1CCC1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.36
MTNR1B P49286 5/20 0.36
TSHR P16473 2/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
USP2 O75604 1/20 0.33
POLB P06746 1/20 0.33
RPS6KB1 P23443 6/20 0.33
AKT1 P31749 6/20 0.33
ALDH1A1 P00352 3/20 0.32
ATM Q13315 1/20 0.32
ALOX15 P16050 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31
DRD4 P21917 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
SCHEMBL21404382 0.96 MTNR1A (0.34) MTNR1AMTNR1BTSHRLMNATP53
SCHEMBL21404386 0.90 HTR1A (0.37) HTR1ADRD2DRD4
SCHEMBL21419083 0.82 EPHX1 (0.40) ALDH1A1DRD2
SCHEMBL1567661 0.78 EPHX1 (0.41) ALDH1A1DRD2
SCHEMBL21404569 0.77 KCNH2 (0.37) MTNR1AMTNR1BTSHRLMNATP53
SCHEMBL21404439 0.77 POLB (0.39) MTNR1AMTNR1BTSHRSMN1; SMN2HSD17B10
SCHEMBL21404446 0.76 MTNR1A (0.34) MTNR1AMTNR1BSMN1; SMN2HSD17B10ALDH1A1
SCHEMBL21419114 0.74 JAK2 (0.38) ALDH1A1HTR1ADRD2DRD4
SCHEMBL21432995 0.72 EPHX1 (0.40) ALDH1A1HTR1ADRD2DRD4
SCHEMBL21404457 0.70 TSHR (0.35) MTNR1AMTNR1BTSHRSMN1; SMN2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230008047-A1 IMIDAZOPIPERAZINE INHIBITORS OF TRANSCRIPTION ACTIVATING PROTEINS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2023-01-12 US disclosed
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 (3 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 MTNR1A 3287/4885MTNR1B 3544/4885TSHR 2494/4885
US-20230008047-A1 IMIDAZOPIPERAZINE INHIBITORS OF TRANSCRIPTION ACTIVATING PROTEINS EP300, CREBBP, RBBP7 MTNR1A 3287/4885MTNR1B 3544/4885TSHR 2494/4885
US-20190298729-A1 IMIDAZOPIPERAZINE INHIBITORS OF TRANSCRIPTION ACTIVATING PROTEINS EP300, CREBBP, RBBP7 MTNR1A 3287/4885MTNR1B 3544/4885TSHR 2494/4885

“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.