SCHEMBL24451999

SCHEMBL24451999

CC(C)c1ccc(N2CCN(CCN(C)C3CC3)CC2)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.46
▸ SLC6A2 P23975 5/20 0.41
▸ SLC6A4 P31645 5/20 0.41
▸ SLC6A3 Q01959 3/20 0.41
▸ CHIT1 Q13231 1/20 0.41
▸ CHIA Q9BZP6 1/20 0.41
▸ DRD2 P14416 4/20 0.39
▸ DRD3 P35462 4/20 0.39
▸ CHRM1 P11229 1/20 0.38
▸ PTGS1 P23219 1/20 0.38
▸ JAK2 O60674 1/20 0.37
▸ JAK1 P23458 1/20 0.37
▸ FLT3 P36888 1/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NOS3 P29474 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
SCHEMBL20884949 0.91 SIGMAR1 (0.44) SIGMAR1SLC6A2SLC6A4SLC6A3CHIT1
SCHEMBL22542094 0.84 SIGMAR1 (0.48) SIGMAR1SLC6A2SLC6A4DRD2DRD3
SCHEMBL24451719 0.82 SIGMAR1 (0.42) SIGMAR1SLC6A2SLC6A4SLC6A3CHIT1
SCHEMBL14486997 0.81 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3DRD2DRD3
SCHEMBL20883757 0.78 DRD3 (0.54) SLC6A2SLC6A4SLC6A3DRD2DRD3
SCHEMBL20883766 0.77 CHIT1 (0.39) CHIT1CHIACHRM1PTGS1JAK2
SCHEMBL21267233 0.77 ALDH1A1 (0.43) CHIT1CHIACHRM1PTGS1CYP2D6
SCHEMBL20883742 0.75 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3DRD2DRD3
SCHEMBL14924031 0.74 KDM4E (0.58) DRD2DRD3CHRM1PTGS1CYP2D6
SCHEMBL20884875 0.74 SIGMAR1 (0.41) SIGMAR1SLC6A2SLC6A4SLC6A3DRD2

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 4072/4885SLC6A2 4794/4885SLC6A4 4590/4885
US-20220168313-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF WEE1, WEE2, VHL SIGMAR1 4080/4885SLC6A2 4684/4885SLC6A4 4599/4885

“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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