Sugi Predict

Sugi Predict / Compounds / SCHEMBL21404569

SCHEMBL21404569

SCHEMBL21404569

O=C(O)NCCn1ccnc1C1CCC1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 5/20 0.37
▸ MTNR1A P48039 3/20 0.37
▸ MTNR1B P49286 2/20 0.37
▸ PDK1 Q15118 1/20 0.35
▸ PDK2 Q15119 1/20 0.35
▸ PDK3 Q15120 1/20 0.35
▸ PDK4 Q16654 1/20 0.35
▸ ESR1 P03372 1/20 0.34
▸ LMNA P02545 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ TNK2 Q07912 2/20 0.33
▸ CCNE1 P24864 2/20 0.33
▸ CDK2 P24941 2/20 0.33
▸ ATM Q13315 2/20 0.33
▸ ALDH1A1 P00352 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
SCHEMBL21404358 0.94 MTNR1A (0.37) KCNH2MTNR1AMTNR1BESR1
SCHEMBL21404497 0.88 BRD4 (0.36) KCNH2MTNR1A
SCHEMBL21404549 0.83 HTR1A (0.36) KCNH2MTNR1AESR1
SCHEMBL21419084 0.81 EPHX1 (0.43) TNK2ALDH1A1
SCHEMBL21404533 0.77 MTNR1A (0.36) MTNR1AMTNR1BLMNATP53TSHR
SCHEMBL26385227 0.76 EPHX1 (0.42) ALDH1A1
SCHEMBL24448305 0.74 PTGIR (0.41) KCNH2MTNR1AMTNR1BLMNAALDH1A1
SCHEMBL3038961 0.74 ALDH1A1 (0.51) MTNR1ATSHRSMN1; SMN2ALDH1A1
SCHEMBL21404329 0.73 ESR1 (0.39) MTNR1AESR1LMNASMN1; SMN2
SCHEMBL21404382 0.72 MTNR1A (0.34) MTNR1AMTNR1BLMNATP53TSHR

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 KCNH2 4497/4885MTNR1A 3287/4885MTNR1B 3544/4885
US-20230008047-A1 IMIDAZOPIPERAZINE INHIBITORS OF TRANSCRIPTION ACTIVATING PROTEINS EP300, CREBBP, RBBP7 KCNH2 4497/4885MTNR1A 3287/4885MTNR1B 3544/4885
US-20190298729-A1 IMIDAZOPIPERAZINE INHIBITORS OF TRANSCRIPTION ACTIVATING PROTEINS EP300, CREBBP, RBBP7 KCNH2 4497/4885MTNR1A 3287/4885MTNR1B 3544/4885

“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.