SCHEMBL22466056

SCHEMBL22466056

Brc1cnn(-c2cccc(N3CCOCC3)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 2/20 0.49
LMNA P02545 1/20 0.45
KMO O15229 1/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
AGXT P21549 1/20 0.43
ALKBH1 Q13686 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
AKR1C3 P42330 2/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
PLOD2 O00469 2/20 0.41
PLOD3 O60568 2/20 0.41

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
SCHEMBL29378024 0.87 DRD4 (0.41) DHFRALDH1A1SMN1; SMN2AGXTDRD2
SCHEMBL22466068 0.87 DRD4 (0.41) DHFRALDH1A1SMN1; SMN2AGXTDRD2
SCHEMBL22466092 0.86 AKR1C3 (0.46) LMNAALDH1A1SMN1; SMN2DRD2DRD4
SCHEMBL22466256 0.85 DRD4 (0.40) DHFRALDH1A1SMN1; SMN2AGXTDRD2
SCHEMBL22138020 0.84 ADRA2C (0.51) LMNASMN1; SMN2AGXTHDAC3HDAC1
SCHEMBL20273893 0.83 DHFR (0.52) DHFRLMNAKMOALDH1A1SMN1; SMN2
SCHEMBL20273944 0.80 IRAK4 (0.47) DHFRLMNAKMOALDH1A1SMN1; SMN2
SCHEMBL22725096 0.80 DHFR (0.43) DHFRLMNAKMOALDH1A1SMN1; SMN2
SCHEMBL21775970 0.80 DRD4 (0.48) DHFRLMNAKMOALDH1A1SMN1; SMN2
SCHEMBL27329825 0.78 LMNA (0.71) DHFRLMNAKMOALDH1A1SMN1; SMN2

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 DHFR 4048/4885LMNA 2047/4885KMO 3729/4885
US-20200308163-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF TLR SIGNALING TLR3, TLR6, TLR4 DHFR 4048/4885LMNA 2047/4885KMO 3729/4885
US-11299487-B2 Compounds and compositions as modulators of TLR signaling TLR3, TLR6, TLR4 DHFR 3791/4885LMNA 2366/4885KMO 2578/4885

“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.