SCHEMBL23701461

SCHEMBL23701461

CCOc1ccc(N2CC3(C)CN(C(=O)NCCO)CC3(C)C2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
FKBP1A P62942 1/20 0.41
MEN1 O00255 1/20 0.40
TP53 P04637 2/20 0.39
POLB P06746 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
BACE1 P56817 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ACACB O00763 4/20 0.39
PKM P14618 1/20 0.38
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TSHR P16473 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
SCHEMBL23701457 1.00 MAPT (0.41) MAPTKMT2AALDH1A1ALOX15HSD17B10
SCHEMBL23701454 0.89 TSHR (0.45) MAPTKMT2AALDH1A1ALOX15HSD17B10
SCHEMBL23701456 0.89 TSHR (0.45) MAPTKMT2AALDH1A1ALOX15HSD17B10
SCHEMBL27402062 0.81 ACACB (0.40) MAPTKMT2AALDH1A1ALOX15HSD17B10
SCHEMBL23701429 0.80 ACACB (0.46) KMT2AACACBTSHR
SCHEMBL23701430 0.80 ACACB (0.46) KMT2AACACBTSHR
SCHEMBL23701400 0.79 ALDH1A1 (0.45) KMT2AALDH1A1MEN1TP53KDM4E
SCHEMBL23701399 0.79 ALDH1A1 (0.45) KMT2AALDH1A1MEN1TP53KDM4E
SCHEMBL23701371 0.77 GAA (0.46) MAPTKMT2AALDH1A1HSD17B10MEN1
SCHEMBL23701368 0.77 GAA (0.46) MAPTKMT2AALDH1A1HSD17B10MEN1

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 MAPT 4829/4885KMT2A 3462/4885ALDH1A1 765/4885
US-20210238179-A1 HEXAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES USEFUL AS LOX INHIBITORS LOX, LOXL1, LOXL3 MAPT 4829/4885KMT2A 3462/4885ALDH1A1 765/4885

“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.