SCHEMBL25701654

SCHEMBL25701654

CCCCCCCCCNCc1ccc(CCNCCCCCCCC)cc1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.70
HRH3 Q9Y5N1 1/20 0.70
SIGMAR1 Q99720 1/20 0.68
LMNA P02545 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.66
CYP1A2 P05177 1/20 0.64
CYP2D6 P10635 1/20 0.64
CYP2C19 P33261 1/20 0.64
S1PR1 P21453 9/20 0.62
S1PR3 Q99500 9/20 0.62
S1PR2 O95136 7/20 0.62
S1PR4 O95977 4/20 0.62
CHRM2 P08172 5/20 0.61
LPAR2 Q9HBW0 3/20 0.59
S1PR5 Q9H228 1/20 0.59

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
SCHEMBL9784433 0.91 HRH4 (0.72) HRH4HRH3SIGMAR1LMNASMN1; SMN2
SCHEMBL19217017 0.91 S1PR1 (0.73) HRH4HRH3SIGMAR1LMNASMN1; SMN2
SCHEMBL9637156 0.90 HRH4 (0.84) HRH4HRH3LMNASMN1; SMN2CYP1A2
SCHEMBL10748421 0.90 HRH4 (0.84) HRH4HRH3LMNASMN1; SMN2CYP1A2
SCHEMBL9259496 0.90 HRH4 (0.84) HRH4HRH3LMNASMN1; SMN2CYP1A2
SCHEMBL10747074 0.90 HRH4 (0.84) HRH4HRH3LMNASMN1; SMN2CYP1A2
SCHEMBL13273800 0.85 SIGMAR1 (0.68) HRH4HRH3SIGMAR1LMNASMN1; SMN2
SCHEMBL25018783 0.85 HRH4 (0.75) HRH4HRH3LMNASMN1; SMN2CYP1A2
SCHEMBL21361201 0.85 HRH4 (0.75) HRH4HRH3LMNASMN1; SMN2CYP1A2
SCHEMBL5936699 0.85 HRH4 (0.96) HRH4HRH3LMNASMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230190940-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-06-22 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 (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-20230190940-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 HRH4 3886/4885HRH3 3631/4885SIGMAR1 3199/4885

“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.