SCHEMBL21361201

SCHEMBL21361201

CCCCCCNCc1ccc(CC)cc1

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.75
HRH3 Q9Y5N1 1/20 0.75
LMNA P02545 1/20 0.71
SMN1; SMN2 Q16637 1/20 0.70
CYP1A2 P05177 2/20 0.68
CYP2D6 P10635 2/20 0.68
CYP2C19 P33261 2/20 0.68
CHRM2 P08172 5/20 0.60
S1PR1 P21453 5/20 0.57
S1PR3 Q99500 5/20 0.57
S1PR2 O95136 4/20 0.57
S1PR4 O95977 2/20 0.57
MAOA P21397 1/20 0.55
LPAR2 Q9HBW0 2/20 0.54
S1PR5 Q9H228 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53

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
SCHEMBL25018783 1.00 HRH4 (0.75) HRH4HRH3LMNASMN1; SMN2CYP1A2
SCHEMBL10747074 0.94 HRH4 (0.84) HRH4HRH3LMNASMN1; SMN2CYP1A2
SCHEMBL9259496 0.94 HRH4 (0.84) HRH4HRH3LMNASMN1; SMN2CYP1A2
SCHEMBL9637156 0.94 HRH4 (0.84) HRH4HRH3LMNASMN1; SMN2CYP1A2
SCHEMBL10748421 0.94 HRH4 (0.84) HRH4HRH3LMNASMN1; SMN2CYP1A2
SCHEMBL5936699 0.88 HRH4 (0.96) HRH4HRH3LMNASMN1; SMN2CYP1A2
SCHEMBL9784433 0.86 HRH4 (0.72) HRH4HRH3LMNASMN1; SMN2CYP1A2
SCHEMBL14288543 0.86 CHRM2 (0.81) HRH4HRH3LMNASMN1; SMN2CYP1A2
SCHEMBL19217017 0.86 S1PR1 (0.73) HRH4HRH3LMNASMN1; SMN2CYP1A2
SCHEMBL18485193 0.86 CHRM2 (0.81) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11578055-B2 Triazacyclododecansulfonamide (“TCD”)-based protein secretion inhibitors KEZAR LIFE SCIENCES (US) 2023-02-14 US disclosed
US-20210078974-A1 TRIAZACYCLODODECANSULFONAMIDE (\"TCD\")-BASED PROTEIN SECRETION INHIBITORS ENODIA THERAPEUTICS SAS (FR) 2021-03-18 US disclosed
US-10745356-B2 Compositions and methods for treating tuberculosis THE BROAD INSTITUTE, INC. (US) 2020-08-18 US disclosed
US-20190284140-A1 COMPOSITIONS AND METHODS FOR TREATING TUBERCULOSIS THE BROAD INSTITUTE, INC. 2019-09-19 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 (4 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-10745356-B2 Compositions and methods for treating tuberculosis C5, IFNG, TERT HRH4 1456/4885HRH3 2194/4885LMNA 1436/4885
US-11578055-B2 Triazacyclododecansulfonamide (“TCD”)-based protein secretion inhibitors SEC61B, SEC61A1, SEC61G HRH4 4097/4885HRH3 4735/4885LMNA 4550/4885
US-20190284140-A1 COMPOSITIONS AND METHODS FOR TREATING TUBERCULOSIS C5, IFNG, TERT HRH4 1456/4885HRH3 2194/4885LMNA 1436/4885
US-20210078974-A1 TRIAZACYCLODODECANSULFONAMIDE (\"TCD\")-BASED PROTEIN SECRETION INHIBITORS SEC61B, SEC61A1, SEC61G HRH4 4006/4885HRH3 4736/4885LMNA 4555/4885

“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.