SCHEMBL23701401

SCHEMBL23701401

N#CCCCN1CC2CN(c3ccc(N4CCS(O)(O)CC4)cc3)CC2C1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.35
HTR7 P34969 4/20 0.35
TMEM97 Q5BJF2 1/20 0.35
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
MAPT P10636 2/20 0.33
GAA P10253 2/20 0.31
HTT P42858 1/20 0.31
PPARD Q03181 1/20 0.31
KCNH2 Q12809 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 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
SCHEMBL23701405 0.88 KDM4E (0.40) HRH3HTR7TMEM97MAPTGAA
SCHEMBL23701403 0.88 KDM4E (0.40) HRH3HTR7TMEM97MAPTGAA
SCHEMBL27399973 0.80 HTR7 (0.46) HRH3HTR7TMEM97MAPTMEN1
SCHEMBL23701421 0.79 KDM4E (0.42) HTR7TMEM97MAPTGAAHTT
SCHEMBL23701422 0.79 KDM4E (0.42) HTR7TMEM97MAPTGAAHTT
SCHEMBL23701485 0.78 ACACB (0.44) HRH3HTR7TMEM97MAPTGAA
SCHEMBL23701487 0.78 ACACB (0.44) HRH3HTR7TMEM97MAPTGAA
SCHEMBL22567361 0.74 HRH3 (0.40) HRH3DRD2DRD3KCNH2KDM4E
SCHEMBL23701443 0.71 HTR7 (0.37) HRH3HTR7TMEM97
SCHEMBL23701444 0.71 HTR7 (0.37) HRH3HTR7TMEM97

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 2 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-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 HRH3 523/4885HTR7 2686/4885TMEM97 2345/4885
US-20210238179-A1 HEXAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES USEFUL AS LOX INHIBITORS LOX, LOXL1, LOXL3 HRH3 523/4885HTR7 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.