SCHEMBL23701402

SCHEMBL23701402

CC12CN(Cc3ccccc3)CC1(C)C(=O)N(c1ccc(N3CCS(O)(O)CC3)cc1)C2=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
DRD4 P21917 3/20 0.43
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
MEN1 O00255 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
ELANE P08246 1/20 0.39
HTR7 P34969 4/20 0.39
HTR1A P08908 2/20 0.39
HTR6 P50406 2/20 0.39
PTGS2 P35354 1/20 0.38
BCHE P06276 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
GLA P06280 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL23701404 0.90 GAA (0.46) GAADRD4MEN1KMT2AELANE
SCHEMBL27400009 0.90 GAA (0.46) GAADRD4MEN1KMT2AELANE
SCHEMBL23701455 0.79 GAA (0.52) GAAMEN1TSHRKMT2AELANE
SCHEMBL27400110 0.79 GAA (0.52) GAAMEN1TSHRKMT2AELANE
SCHEMBL23732392 0.78 POLB (0.49) GAAMEN1KMT2AALDH1A1MAPT
SCHEMBL23701432 0.72 GAA (0.47) GAADRD4HTR2AHTR2CHTR2B
SCHEMBL27400005 0.72 GAA (0.47) GAADRD4HTR2AHTR2CHTR2B
SCHEMBL29597582 0.67 GAA (0.65) GAAMEN1TSHRKMT2AELANE
SCHEMBL22829822 0.66 GAA (0.63) GAAMEN1TSHRKMT2AELANE
SCHEMBL19464108 0.66 GAA (0.63) GAAMEN1TSHRKMT2AELANE

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 GAA 867/4885DRD4 953/4885HTR2A 2705/4885
US-20210238179-A1 HEXAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES USEFUL AS LOX INHIBITORS LOX, LOXL1, LOXL3 GAA 867/4885DRD4 953/4885HTR2A 2705/4885

“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.