SCHEMBL31013452

SCHEMBL31013452

N#CC=C1CCN(C(=O)N2CCc3sccc3C2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.44
PRMT5 O14744 3/20 0.40
WDR77 Q9BQA1 3/20 0.40
HRH3 Q9Y5N1 1/20 0.38
AKR1C3 P42330 2/20 0.36
RYR2 Q92736 1/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A2 P23975 1/20 0.35
BCHE P06276 1/20 0.33
THRB P10828 1/20 0.33
NR1I2 O75469 1/20 0.33
ABCB11 O95342 1/20 0.33
CHRM2 P08172 1/20 0.33
ADRA2A P08913 1/20 0.33
CYP2B6 P20813 1/20 0.33
DRD1 P21728 1/20 0.33
HTR2A P28223 1/20 0.33
CYP2C19 P33261 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 0.33

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
SCHEMBL27166075 0.80 HRH3 (0.52) HSP90AA1HRH3AKR1C3RYR2SLC6A2
SCHEMBL27166201 0.74 ALDH1A1 (0.45) AKR1C3OPRK1
SCHEMBL27166148 0.73 HSP90AA1 (0.39) HSP90AA1PRMT5WDR77AKR1C3
SCHEMBL29205181 0.73 PROKR1 (0.42) HSP90AA1PRMT5WDR77AKR1C3SLC6A4
SCHEMBL2023735 0.73 HSP90AA1 (0.51) HSP90AA1PRMT5WDR77AKR1C3SLC6A4
SCHEMBL27166122 0.72 HSP90AA1 (0.41) HSP90AA1PRMT5WDR77HRH3AKR1C3
SCHEMBL27166198 0.72 HSP90AA1 (0.38) HSP90AA1PRMT5WDR77AKR1C3SLC6A4
SCHEMBL4253684 0.71 HSP90AA1 (0.50) HSP90AA1PRMT5WDR77AKR1C3RYR2
SCHEMBL8680487 0.71 NOTUM (0.57) HSP90AA1PRMT5WDR77AKR1C3SLC6A4
SCHEMBL19722818 0.71 HSP90AA1 (0.50) HSP90AA1PRMT5WDR77AKR1C3SLC6A4

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-12637471-B2 Heterocyclic compounds, compositions, methods of preparation and uses thereof ORGANON R&D FINLAND LTD. (FI) 2026-05-26 US disclosed
US-20240254131-A1 NOVEL HETEROCYCLIC COMPOUNDS, COMPOSITIONS, METHODS OF PREPARATION AND USES THEREOF ORGANON R&D FINLAND LTD. (FI) 2024-08-01 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-20240254131-A1 NOVEL HETEROCYCLIC COMPOUNDS, COMPOSITIONS, METHODS OF PREPARATION AND USES THEREOF AKR1C3, AKR1C4, AKR1C1 HSP90AA1 2620/4885PRMT5 2943/4885WDR77 4100/4885
US-12637471-B2 Heterocyclic compounds, compositions, methods of preparation and uses thereof AKR1C3, AKR1C4, AKR1C2 HSP90AA1 1543/4885PRMT5 2872/4885WDR77 3920/4885

“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.