SCHEMBL27201352

SCHEMBL27201352

Nc1cc(N2CCCC(n3cnc4ccccc43)C2)nc(N)n1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 9/20 0.46
OPRM1 P35372 1/20 0.42
OPRL1 P41146 1/20 0.42
DRD2 P14416 1/20 0.41
SLC6A4 P31645 1/20 0.41
FAAH O00519 2/20 0.39
HRH3 Q9Y5N1 1/20 0.38
ROCK1 Q13464 1/20 0.38
KMT2A Q03164 1/20 0.38
GLRA3 O75311 1/20 0.37
GLRB P48167 1/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
BTK Q06187 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
SCHEMBL30834173 1.00 HRH4 (0.46) HRH4OPRM1OPRL1DRD2SLC6A4
SCHEMBL30834264 0.87 HRH4 (0.51) HRH4OPRM1OPRL1DRD2SLC6A4
SCHEMBL27201377 0.87 HRH4 (0.51) HRH4OPRM1OPRL1DRD2SLC6A4
SCHEMBL30834121 0.77 HRH4 (0.41) HRH4FAAHHRH3USP2LMNA
SCHEMBL27201412 0.77 HRH4 (0.41) HRH4FAAHHRH3USP2LMNA
SCHEMBL27201362 0.74 HRH4 (0.42) HRH4FAAHHRH3USP2LMNA
SCHEMBL30834276 0.74 HRH4 (0.42) HRH4FAAHHRH3USP2LMNA
SCHEMBL30834075 0.74 CHRM2 (0.49) OPRM1OPRL1FAAH
SCHEMBL27201378 0.74 CHRM2 (0.49) OPRM1OPRL1FAAH
SCHEMBL11562405 0.71 DRD2 (0.61) OPRM1OPRL1DRD2SLC6A4KMT2A

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-20240132464-A1 HETEROCYCLIC COMPOUNDS AS E3 LIGASE INHIBITORS ACCUTAR BIOTECHNOLOGY INC. (US) 2024-04-25 US claimed
US-20240132464-A1 HETEROCYCLIC COMPOUNDS AS E3 LIGASE INHIBITORS ACCUTAR BIOTECHNOLOGY INC. (US) 2024-04-25 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-20240132464-A1 HETEROCYCLIC COMPOUNDS AS E3 LIGASE INHIBITORS GID4, MDM2, XIAP HRH4 4074/4885OPRM1 4478/4885OPRL1 4292/4885

“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.