SCHEMBL23701433

SCHEMBL23701433

O=C(NC1CCCCC1)N1C[C@@H]2CN(c3ccc(N4CCS(O)(O)CC4)cc3)C[C@@H]2C1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.55
MAPT P10636 2/20 0.53
GFER P55789 1/20 0.53
HTT P42858 4/20 0.44
GAA P10253 1/20 0.44
POLB P06746 2/20 0.43
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALOX12 P18054 1/20 0.41
LMNA P02545 2/20 0.40

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
SCHEMBL23701411 0.91 SMN1; SMN2 (0.55) SMN1; SMN2MAPTGFERHTTGAA
SCHEMBL23701410 0.91 SMN1; SMN2 (0.55) SMN1; SMN2MAPTGFERHTTGAA
SCHEMBL27400036 0.83 SMN1; SMN2 (0.54) SMN1; SMN2MAPTGFERPOLBRAB9A
SCHEMBL23701465 0.80 SMN1; SMN2 (0.74) SMN1; SMN2MAPTGFERPOLBRAB9A
SCHEMBL23701466 0.80 SMN1; SMN2 (0.74) SMN1; SMN2MAPTGFERPOLBRAB9A
SCHEMBL23701467 0.77 MAPT (0.44) SMN1; SMN2MAPTGFERPOLBRAB9A
SCHEMBL23701415 0.77 DRD2 (0.37) GAAPOLBALDH1A1KDM4E
SCHEMBL23701381 0.72 MAPT (0.43) SMN1; SMN2MAPTGFERPOLBRAB9A
SCHEMBL29178278 0.72 SMN1; SMN2 (0.75) SMN1; SMN2MAPTGFERHTTALDH1A1
SCHEMBL15225851 0.71 SMN1; SMN2 (1.00) SMN1; SMN2MAPTGFERHTTPOLB

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 SMN1; SMN2 3383/4885MAPT 4829/4885GFER 783/4885
US-20210238179-A1 HEXAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES USEFUL AS LOX INHIBITORS LOX, LOXL1, LOXL3 SMN1; SMN2 3383/4885MAPT 4829/4885GFER 783/4885

“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.