SCHEMBL23701447

SCHEMBL23701447

CN(C)CCCN(C)c1ccc(N2CC3CN(C(=O)NCCO)CC3C2)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
BCHE P06276 1/20 0.38
P2RX4 Q99571 1/20 0.36
NAMPT P43490 7/20 0.36
MAPT P10636 2/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TACR1 P25103 1/20 0.34
TACR3 P29371 1/20 0.34
MALT1 Q9UDY8 2/20 0.33
GFER P55789 2/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
HTT P42858 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL23701446 1.00 ALDH1A1 (0.41) ALDH1A1BCHEP2RX4NAMPTMAPT
SCHEMBL23701408 0.89 ALDH1A1 (0.38) ALDH1A1BCHENAMPTMAPTTSHR
SCHEMBL23701406 0.89 ALDH1A1 (0.38) ALDH1A1BCHENAMPTMAPTTSHR
SCHEMBL23701484 0.83 CACNA1B (0.36) ALDH1A1NAMPTMAPTTSHRMEN1
SCHEMBL27400039 0.79 TP53 (0.41) ALDH1A1MAPTTSHRMEN1KMT2A
SCHEMBL27400053 0.77 GPR119 (0.46) ALDH1A1MAPT
SCHEMBL23701459 0.77 GPR119 (0.46) ALDH1A1MAPT
SCHEMBL23701377 0.76 POLB (0.46) ALDH1A1NAMPTMAPTGFERSMN1; SMN2
SCHEMBL23701378 0.76 POLB (0.46) ALDH1A1NAMPTMAPTGFERSMN1; SMN2
SCHEMBL23701430 0.74 ACACB (0.46) TSHRKMT2A

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 ALDH1A1 765/4885BCHE 2849/4885P2RX4 211/4885
US-20210238179-A1 HEXAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES USEFUL AS LOX INHIBITORS LOX, LOXL1, LOXL3 ALDH1A1 765/4885BCHE 2849/4885P2RX4 211/4885

“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.