SCHEMBL9504216

SCHEMBL9504216

O=C1c2cc([N+](=O)[O-])ccc2OCCN1CCO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
PIK3CG P48736 1/20 0.43
MEN1 O00255 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KMT2A Q03164 2/20 0.41
CASP1 P29466 1/20 0.39
CASP3 P42574 1/20 0.39
CASP4 P49662 1/20 0.39
CASP7 P55210 1/20 0.39
CASP9 P55211 1/20 0.39
CASP6 P55212 1/20 0.39
CHRM2 P08172 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
DRD1 P21728 1/20 0.39
PTGS1 P23219 1/20 0.39
SLC6A4 P31645 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
SCHEMBL7255341 0.88 CASP1 (0.41) MEN1NPC1RAB9AKMT2ACASP1
SCHEMBL25607649 0.85 CHRM2 (0.51) PIK3CDPIK3CAPIK3CBPIK3CGMEN1
SCHEMBL7139032 0.84 PIK3CD (0.42) PIK3CDPIK3CAPIK3CBPIK3CGMEN1
SCHEMBL25607650 0.83 PIK3CD (0.43) PIK3CDPIK3CAPIK3CBPIK3CGMEN1
SCHEMBL17505042 0.81 ALDH1A1 (0.42) MAPTPOLBATMALDH1A1SMN1; SMN2
SCHEMBL9501575 0.81 PIK3CD (0.49) PIK3CDPIK3CAPIK3CBPIK3CGMEN1
SCHEMBL9501587 0.80 KDM4E (0.38) MEN1KMT2ACASP1CASP7MAPT
SCHEMBL19138461 0.79 ALPL (0.47) TNIKALDH1A1SMN1; SMN2CFTRLMNA
SCHEMBL7132260 0.78 GABRA1 (0.40) PIK3CDPIK3CAPIK3CBPIK3CGMEN1
SCHEMBL20175320 0.74 ALDH1A1 (0.41) MAPTPOLBALDH1A1SMN1; SMN2CTSB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159446-A1 Methods and Compositions for Targeting Tregs using CCR8 Inhibitors NANJING IMMUNOPHAGE BIOMEDICAL CO., LTD. (CN) 2023-05-25 US disclosed
EP-0355598-B1 BETA-PHENOXYETHYL AMINES AND THEIR USE IN THE PREPARATION OF DYES BAYER AG (DE) 1993-06-16 EP disclosed
US-5126481-A Cyclization, reduction, decyclization BAYER AKTIENGESELLSCHAFT (DE) 1992-06-30 US disclosed
US-5041629-A Beta-phenoxyethylamines and their use for the preparation of dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1991-08-20 US disclosed
EP-0355598-A2 Beta-phenoxyethyl amines and their use in the preparation of dyes BAYER AG (DE) 1990-02-28 EP 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-20230159446-A1 Methods and Compositions for Targeting Tregs using CCR8 Inhibitors CCR8, CCR1, CCR3 PIK3CD 1755/4885PIK3CA 1425/4885PIK3CB 1391/4885

“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.