SCHEMBL23625656

SCHEMBL23625656

CCCCCC1CCN(C(C)C)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.43
HRH3 Q9Y5N1 3/20 0.43
TLR7 Q9NYK1 1/20 0.41
PKM P14618 1/20 0.41
GNAO1 P09471 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HTT P42858 1/20 0.40
TP53 P04637 1/20 0.38
LSS P48449 2/20 0.37
GNAI3 P08754 2/20 0.37
GNAI1 P63096 2/20 0.37
MAPT P10636 1/20 0.37
EPHX1 P07099 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL24742916 0.98 GNAO1 (0.42) CYP1A2HRH3TLR7PKMGNAO1
SCHEMBL7706841 0.94 CYP1A2 (0.50) CYP1A2HRH3TLR7PKMGNAO1
SCHEMBL31272933 0.92 HRH3 (0.47) CYP1A2HRH3TLR7
SCHEMBL31273027 0.87 HRH3 (0.47) CYP1A2HRH3TLR7
SCHEMBL10218782 0.87 CYP1A2 (0.53) CYP1A2HRH3TLR7PKMGNAO1
SCHEMBL23175630 0.87 CYP1A2 (0.53) CYP1A2HRH3TLR7PKMGNAO1
SCHEMBL178288 0.85 HRH3 (0.46) CYP1A2HRH3TLR7GNAO1
SCHEMBL19674068 0.84 CYP1A2 (0.50) CYP1A2PKMGNAO1MEN1KMT2A
SCHEMBL25122685 0.83 HRH3 (0.50) HRH3
SCHEMBL19083183 0.82 CYP1A2 (0.42) CYP1A2HRH3TLR7GNAO1HTT

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
WO-2024054604-A1 HETEROBIFUNCTIONAL COMPOUNDS AND METHODS OF TREATING DISEASE HALDA THERAPEUTICS OPCO, INC. (US) 2024-03-14 WO disclosed
US-20230234953-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-07-27 US disclosed
US-11707457-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-07-25 US disclosed
US-20220340570-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2022-10-27 US disclosed
WO-2021138419-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC, (US) 2021-07-08 WO 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-20230234953-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 CYP1A2 3570/4885HRH3 3631/4885TLR7 16/4885
US-20220340570-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 CYP1A2 3570/4885HRH3 3631/4885TLR7 16/4885
US-11707457-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 CYP1A2 3570/4885HRH3 3631/4885TLR7 16/4885

“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.