SCHEMBL21404446

SCHEMBL21404446

O=C(O)NCCn1cc(I)nc1Cl

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.34
MTNR1B P49286 1/20 0.34
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAPK1 P28482 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL21419146 0.79 DRD2 (0.44) ALDH1A1
SCHEMBL21404382 0.77 MTNR1A (0.34) MTNR1AMTNR1BSMN1; SMN2HSD17B10CYP1A2
SCHEMBL21404533 0.76 MTNR1A (0.36) MTNR1AMTNR1BSMN1; SMN2HSD17B10ALDH1A1
SCHEMBL21404386 0.72 HTR1A (0.37)
SCHEMBL27091450 0.72 FAAH (0.37) L3MBTL1
SCHEMBL21404375 0.71 MEN1 (0.34) MTNR1AMTNR1BMAPTSMN1; SMN2HSD17B10
SCHEMBL21404329 0.71 ESR1 (0.39) MTNR1AMAPTSMN1; SMN2
SCHEMBL21404432 0.68 CREBBP (0.44) MTNR1AMTNR1BSMN1; SMN2L3MBTL1MAPK1
SCHEMBL21404585 0.68 CPB2 (0.34)
SCHEMBL25211607 0.66

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 MTNR1A 3287/4885MTNR1B 3544/4885MAPT 4203/4885
US-20190298729-A1 IMIDAZOPIPERAZINE INHIBITORS OF TRANSCRIPTION ACTIVATING PROTEINS EP300, CREBBP, RBBP7 MTNR1A 3287/4885MTNR1B 3544/4885MAPT 4203/4885

“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.