SCHEMBL23701476

SCHEMBL23701476

CC12CN(CCCC#N)CC1(C)CN(c1ccc(N3CCN(S(C)(=O)=O)CC3)cc1)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.39
HIF1A Q16665 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
CYP2C9 P11712 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
CYP2C19 P33261 2/20 0.39
USP2 O75604 1/20 0.39
HSD17B10 Q99714 1/20 0.39
POLB P06746 2/20 0.38
MAPT P10636 3/20 0.37
ALDH1A1 P00352 2/20 0.37
RORC P51449 3/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL23701477 1.00 KDM4E (0.40) KDM4EGAAHIF1ACYP1A2CYP2D6
SCHEMBL27400159 0.89 KDM4E (0.40) KDM4EGAAHIF1ACYP1A2CYP2D6
SCHEMBL23701421 0.82 KDM4E (0.42) KDM4EGAAKMT2AMEN1SMN1; SMN2
SCHEMBL23701422 0.82 KDM4E (0.42) KDM4EGAAKMT2AMEN1SMN1; SMN2
SCHEMBL23732383 0.81 KDM4E (0.38) KDM4EGAAMAPTALDH1A1RORC
SCHEMBL27400061 0.80 L3MBTL1 (0.36) KMT2ASMN1; SMN2MAPTHTR7L3MBTL1
SCHEMBL23701427 0.75 GAA (0.43) KDM4EGAAKMT2AMEN1SMN1; SMN2
SCHEMBL23701431 0.75 GAA (0.43) KDM4EGAAKMT2AMEN1SMN1; SMN2
SCHEMBL22015092 0.75 HIF1A (0.50) KDM4EGAAHIF1ACYP1A2CYP2D6
SCHEMBL23701474 0.72 MAPT (0.50) KDM4EGAAHIF1ACYP1A2CYP2D6

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 KDM4E 685/4885GAA 867/4885HIF1A 1675/4885
US-20210238179-A1 HEXAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES USEFUL AS LOX INHIBITORS LOX, LOXL1, LOXL3 KDM4E 685/4885GAA 867/4885HIF1A 1675/4885

“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.