SCHEMBL23945982

SCHEMBL23945982

CCCCCCCC(CCCCC)NCc1ccc(CN2CCN(CC(C)CCCC)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
TP53 P04637 2/20 0.43
HPGD P15428 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HRH3 Q9Y5N1 3/20 0.38
NCF1 P14598 1/20 0.37
S1PR5 Q9H228 4/20 0.36
CYP2D6 P10635 1/20 0.36
S1PR1 P21453 4/20 0.35
S1PR3 Q99500 4/20 0.35
S1PR4 O95977 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
SCHEMBL25728805 0.89 RAB9A (0.41) RAB9ANPC1TP53HPGDMEN1
SCHEMBL25702565 0.78 HRH3 (0.41) RAB9ANPC1TP53HPGDMEN1
SCHEMBL24672537 0.76 NPC1 (0.46) RAB9ANPC1TP53HPGDMEN1
SCHEMBL25829623 0.76 NCF1 (0.58) RAB9ANPC1TP53HPGDMEN1
SCHEMBL4444349 0.73 SMN1; SMN2 (0.56) HPGDALDH1A1HRH3CYP2D6
SCHEMBL25701785 0.73 HTT (0.44) RAB9ANPC1TP53MEN1KMT2A
Hydrochloric Acid SCHEMBL5604170 0.72 SMN1; SMN2 (0.54) HPGDALDH1A1CYP2D6
SCHEMBL19087037 0.70 TLR2 (0.51)
SCHEMBL7065867 0.70 TLR2 (0.51)
SCHEMBL23634016 0.70 TLR2 (0.51)

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-11352350-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2022-06-07 US disclosed
US-20210323952-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2021-10-21 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-11352350-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 RAB9A 4270/4885NPC1 3159/4885TP53 1474/4885
US-20210323952-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 RAB9A 4270/4885NPC1 3159/4885TP53 1474/4885

“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.