SCHEMBL24451719

SCHEMBL24451719

CC(C)c1ccc(C2CCN(CCN(C)C3CC3)CC2)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.42
▸ NOS3 P29474 2/20 0.37
▸ NOS1 P29475 2/20 0.37
▸ NOS2 P35228 2/20 0.37
▸ CHIT1 Q13231 1/20 0.36
▸ CHIA Q9BZP6 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ SLC6A2 P23975 2/20 0.35
▸ SLC6A4 P31645 2/20 0.35
▸ SLC6A3 Q01959 2/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ CCR5 P51681 1/20 0.35
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ TACR2 P21452 2/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ PRCP P42785 2/20 0.34

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
SCHEMBL20884875 0.91 SIGMAR1 (0.41) SIGMAR1NOS3NOS1NOS2SMN1; SMN2
SCHEMBL22547351 0.84 SIGMAR1 (0.44) SIGMAR1NOS3NOS1NOS2SMN1; SMN2
SCHEMBL24451999 0.82 SIGMAR1 (0.46) SIGMAR1NOS3NOS1NOS2CHIT1
SCHEMBL20883770 0.82 ALDH1A1 (0.46) SLC6A2SLC6A4SLC6A3TACR2DRD2
SCHEMBL20883545 0.79 TLR9 (0.44) SLC6A4HTR2ADRD2PRCP
SCHEMBL14924095 0.78 HTR2A (0.43) SLC6A2SLC6A4SLC6A3HTR2AHTR2C
SCHEMBL20883541 0.77 TLR9 (0.48) —
SCHEMBL20884922 0.76 MCOLN3 (0.39) SIGMAR1SMN1; SMN2CCR5HTR2AHTR2C
SCHEMBL20883769 0.75 TACR2 (0.43) SLC6A2SLC6A3HTR2ATACR2DRD2
SCHEMBL20668683 0.75 SLC6A2 (0.40) SIGMAR1SLC6A2SLC6A4SLC6A3

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-20220168313-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2022-06-02 — — US disclosed
US-20220162229-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2022-05-26 — — 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-20220162229-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF WEE1, WEE2, NME1 SIGMAR1 4072/4885NOS3 4089/4885NOS1 3906/4885
US-20220168313-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF WEE1, WEE2, VHL SIGMAR1 4080/4885NOS3 3249/4885NOS1 3235/4885

“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.

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