Sugi Predict

Sugi Predict / Compounds / SCHEMBL23701405

SCHEMBL23701405

SCHEMBL23701405

N#CCCCN1C[C@@H]2CN(c3ccc(N4CCS(=O)(=O)CC4)cc3)C[C@@H]2C1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.40
▸ HTR7 P34969 3/20 0.37
▸ TMEM97 Q5BJF2 1/20 0.37
▸ RORC P51449 3/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ PRMT5 O14744 1/20 0.35
▸ WDR77 Q9BQA1 1/20 0.35
▸ HRH3 Q9Y5N1 3/20 0.35
▸ FAAH O00519 1/20 0.34
▸ GAA P10253 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CA2 P00918 1/20 0.32
▸ CA9 Q16790 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
SCHEMBL23701403 1.00 KDM4E (0.40) KDM4EHTR7TMEM97RORCALDH1A1
SCHEMBL23701401 0.88 HRH3 (0.35) KDM4EHTR7TMEM97ALDH1A1HRH3
SCHEMBL27400164 0.83 KDM4E (0.42) KDM4EHTR7TMEM97RORCALDH1A1
SCHEMBL22567361 0.83 HRH3 (0.40) KDM4ERORCALDH1A1PRMT5WDR77
SCHEMBL23701422 0.81 KDM4E (0.42) KDM4EHTR7TMEM97RORCALDH1A1
SCHEMBL23701421 0.81 KDM4E (0.42) KDM4EHTR7TMEM97RORCALDH1A1
SCHEMBL27399973 0.80 HTR7 (0.46) HTR7TMEM97HRH3MAPT
SCHEMBL23732383 0.78 KDM4E (0.38) KDM4EHTR7RORCALDH1A1PRMT5
SCHEMBL20898342 0.77 ALDH1A1 (0.32) KDM4EHTR7RORCALDH1A1
SCHEMBL20907500 0.77 ALDH1A1 (0.32) KDM4EHTR7RORCALDH1A1

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-12018029-B2 Hexahydropyrrolo[3,4-c]pyrrole derivatives useful as LOX inhibitors THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2024-06-25 — — US disclosed
US-12018029-B2 Hexahydropyrrolo[3,4-c]pyrrole derivatives useful as LOX inhibitors THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2024-06-25 — — US disclosed
US-12018029-B2 Hexahydropyrrolo[3,4-c]pyrrole derivatives useful as LOX inhibitors THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2024-06-25 — — US disclosed
US-20210238179-A1 HEXAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES USEFUL AS LOX INHIBITORS THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2021-08-05 — — US disclosed
US-20210238179-A1 HEXAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES USEFUL AS LOX INHIBITORS THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2021-08-05 — — 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-12018029-B2 Hexahydropyrrolo[3,4-c]pyrrole derivatives useful as LOX inhibitors LOX, LOXL1, LOXL3 KDM4E 685/4885HTR7 2686/4885TMEM97 2345/4885
US-20210238179-A1 HEXAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES USEFUL AS LOX INHIBITORS LOX, LOXL1, LOXL3 KDM4E 685/4885HTR7 2686/4885TMEM97 2345/4885

“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.