SCHEMBL22466092

SCHEMBL22466092

Brc1cnn(-c2ccc(N3CCOCC3)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.46
MELK Q14680 2/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 3/20 0.44
ALOX15 P16050 2/20 0.44
HSD17B10 Q99714 2/20 0.44
HPGD P15428 1/20 0.44
MAPT P10636 4/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
DRD4 P21917 4/20 0.43
DRD2 P14416 3/20 0.43
DRD3 P35462 3/20 0.43
HTT P42858 2/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
CYP1A2 P05177 1/20 0.43
LMNA P02545 1/20 0.43
USP2 O75604 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL22466056 0.86 DHFR (0.49) AKR1C3ALDH1A1MAPTMEN1KMT2A
SCHEMBL22466086 0.86 MELK (0.47) MELKALDH1A1KDM4EALOX15HSD17B10
SCHEMBL22465940 0.85 MELK (0.46) MELKALDH1A1KDM4EALOX15HSD17B10
SCHEMBL20847696 0.80 MAPT (0.50) AKR1C3MELKALDH1A1KDM4EALOX15
SCHEMBL3323748 0.79 HTT (0.54) ALDH1A1KDM4EHSD17B10MAPTMEN1
SCHEMBL29833008 0.78 PIK3CA (0.44) MELKALDH1A1KDM4EALOX15HSD17B10
SCHEMBL20273894 0.76 ALDH1A1 (0.47) MELKALDH1A1KDM4EALOX15HSD17B10
SCHEMBL22388784 0.76 MAPT (0.46) MELKALDH1A1KDM4EALOX15HSD17B10
SCHEMBL1515927 0.76 AKR1C3 (0.65) AKR1C3ALDH1A1KDM4EALOX15HSD17B10
SCHEMBL3326479 0.74 MTOR (0.43) AKR1C3ALDH1A1ALOX15HSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114025847-B Compounds and compositions as modulators of TLR signaling 神经孔疗法股份有限公司 2024-05-24 CN disclosed
US-20220298155-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF TLR SIGNALING NEUROPORE THERAPIES, INC. (US) 2022-09-22 US disclosed
US-11299487-B2 Compounds and compositions as modulators of TLR signaling NEUROPORE THERAPIES, INC. (US) 2022-04-12 US disclosed
EP-3946599-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF TLR SIGNALING Neuropore Therapies, Inc. (US) 2022-02-09 EP disclosed
CN-114025847-A Compounds and compositions as modulators of TLR signaling 神经孔疗法股份有限公司 2022-02-08 CN disclosed
WO-2020198368-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF TLR SIGNALING NEUROPORE THERAPIES, INC. (US) 2020-10-01 WO disclosed
US-20200308163-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF TLR SIGNALING NEUROPORE THERAPIES, INC. (US) 2020-10-01 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 (3 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-20220298155-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF TLR SIGNALING TLR3, TLR6, TLR4 AKR1C3 4665/4885MELK 1316/4885ALDH1A1 4634/4885
US-20200308163-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF TLR SIGNALING TLR3, TLR6, TLR4 AKR1C3 4665/4885MELK 1316/4885ALDH1A1 4634/4885
US-11299487-B2 Compounds and compositions as modulators of TLR signaling TLR3, TLR6, TLR4 AKR1C3 4549/4885MELK 838/4885ALDH1A1 4515/4885

“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.