SCHEMBL27400002

SCHEMBL27400002

O=C1[C@H]2CN(Cc3ccccc3)C[C@H]2C(=O)N1c1ccc(N2CCS(=O)(=O)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 3/20 0.44
EED O75530 1/20 0.43
RORC P51449 3/20 0.43
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.42
PTGS2 P35354 1/20 0.40
BCHE P06276 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
FAAH O00519 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL23701486 1.00 DRD4 (0.44) DRD4EEDRORCHTR2AHTR2C
SCHEMBL9042636 0.83 SMN1; SMN2 (0.52) DRD4RORCSMN1; SMN2ALDH1A1MAPT
SCHEMBL1749014 0.83 SMN1; SMN2 (0.52) DRD4RORCSMN1; SMN2ALDH1A1MAPT
SCHEMBL27399995 0.82 DRD4 (0.49) DRD4EEDRORCHTR2AHTR2C
SCHEMBL23701452 0.82 DRD4 (0.49) DRD4EEDRORCHTR2AHTR2C
Hydrochloric Acid SCHEMBL1749238 0.81 SMN1; SMN2 (0.51) DRD4RORCSMN1; SMN2ALDH1A1MAPT
SCHEMBL27400032 0.79 POLB (0.51) RORCSMN1; SMN2KDM4EBCHEALDH1A1
SCHEMBL23701404 0.76 GAA (0.46) DRD4RORCKDM4EPTGS2BCHE
SCHEMBL27400009 0.76 GAA (0.46) DRD4RORCKDM4EPTGS2BCHE
SCHEMBL23701396 0.76 KMT2A (0.55) KDM4EALDH1A1MAPTNPSR1MEN1

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 DRD4 953/4885EED 4552/4885RORC 2449/4885

“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.