SCHEMBL20883545

SCHEMBL20883545

CC(C)c1ccc(C2CCN(CCC(F)(F)F)CC2)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TLR9 Q9NR96 5/20 0.44
▸ TLR8 Q9NR97 5/20 0.44
▸ TLR7 Q9NYK1 5/20 0.44
▸ DRD2 P14416 6/20 0.38
▸ PRCP P42785 4/20 0.36
▸ HTR2A P28223 2/20 0.35
▸ DRD3 P35462 2/20 0.35
▸ SLC6A4 P31645 2/20 0.35
▸ MAOB P27338 1/20 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
SCHEMBL20883770 0.84 ALDH1A1 (0.46) TLR9TLR8TLR7DRD2PRCP
SCHEMBL22542112 0.84 DRD2 (0.43) TLR9TLR8TLR7DRD2HTR2A
SCHEMBL24478677 0.81 DRD2 (0.41) TLR9TLR8TLR7DRD2HTR2A
SCHEMBL14924095 0.80 HTR2A (0.43) DRD2HTR2ASLC6A4
SCHEMBL24451719 0.79 SIGMAR1 (0.42) DRD2PRCPHTR2ASLC6A4
SCHEMBL20883742 0.79 SLC6A2 (0.46) DRD2DRD3SLC6A4
SCHEMBL20883769 0.77 TACR2 (0.43) DRD2PRCPHTR2ADRD3
SCHEMBL20668683 0.77 SLC6A2 (0.40) SLC6A4
SCHEMBL20884922 0.76 MCOLN3 (0.39) DRD2HTR2A
SCHEMBL20883542 0.75 KDM2B (0.40) SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220162229-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2022-05-26 — — US disclosed
US-10807994-B2 Heterocyclic compounds and uses thereof NUVATION BIO INC. (US) 2020-10-20 — — US disclosed
US-20190106436-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-04-11 — — 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 (3 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-20190106436-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF WEE1, WEE2, NME1 TLR9 4530/4885TLR8 3748/4885TLR7 4610/4885
US-20220162229-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF WEE1, WEE2, NME1 TLR9 4530/4885TLR8 3748/4885TLR7 4610/4885
US-10807994-B2 Heterocyclic compounds and uses thereof WEE1, WEE2, CCNE1 TLR9 4760/4885TLR8 4360/4885TLR7 4658/4885

“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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