SCHEMBL23701415

SCHEMBL23701415

O=C(NCCO)N1C[C@@H]2CN(c3ccc(N4CCS(O)(O)CC4)cc3)C[C@@H]2C1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
CASR P41180 2/20 0.36
CHRM4 P08173 5/20 0.35
TP53 P04637 1/20 0.34
HDAC3 O15379 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
CHRM2 P08172 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.33
EPHX2 P34913 1/20 0.33
PRKD1 Q15139 1/20 0.32
GAA P10253 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
SCHEMBL23701417 0.90 KDM4E (0.45) DRD2DRD3CASRCHRM4TP53
SCHEMBL23701419 0.90 KDM4E (0.45) DRD2DRD3CASRCHRM4TP53
SCHEMBL27400039 0.82 TP53 (0.41) TP53ALDH1A1KDM4EEPHX2GAA
SCHEMBL23701441 0.81 GAA (0.47) TP53ALDH1A1POLBKDM4EGAA
SCHEMBL23701440 0.81 GAA (0.47) TP53ALDH1A1POLBKDM4EGAA
SCHEMBL23701429 0.80 ACACB (0.46)
SCHEMBL27400148 0.80 ALDH1A1 (0.46) DRD2DRD3HDAC3HDAC8ALDH1A1
SCHEMBL23701430 0.80 ACACB (0.46)
SCHEMBL23701357 0.79 ALDH1A1 (0.48) HDAC3HDAC8ALDH1A1KDM4E
SCHEMBL23701378 0.79 POLB (0.46) ALDH1A1POLBKDM4EGAA

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 DRD2 897/4885DRD3 824/4885CASR 1173/4885
US-20210238179-A1 HEXAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES USEFUL AS LOX INHIBITORS LOX, LOXL1, LOXL3 DRD2 897/4885DRD3 824/4885CASR 1173/4885

“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.