SCHEMBL21361264

SCHEMBL21361264

CCS(=O)(=O)N1CCC2(CC1)CC(=O)C(c1c(C)cc(-c3ccc(F)cc3)cc1OC)C(=O)C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
PTGS2 P35354 2/20 0.35
PTGS1 P23219 1/20 0.35
TSHR P16473 2/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
MCHR1 Q99705 3/20 0.34
MAPT P10636 1/20 0.34
PIK3CA P42336 2/20 0.34
CYP2D6 P10635 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
CCR5 P51681 1/20 0.34
NPC1 O15118 1/20 0.33
TNF P01375 1/20 0.33
NOD1 Q9Y239 1/20 0.33

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
SCHEMBL21361312 0.92 PTGS2 (0.35) PTGS2PTGS1MCHR1CYP2D6SSTR5
SCHEMBL24120100 0.90 PDE4B (0.34) SMN1; SMN2TSHRKDM4EMCHR1MAPT
SCHEMBL21361220 0.86 CNR1 (0.37) SMN1; SMN2PTGS2PTGS1MCHR1MEN1
SCHEMBL26035158 0.86 PDE4B (0.33) SMN1; SMN2PTGS2PTGS1MCHR1MEN1
SCHEMBL22859732 0.86 SLC6A9 (0.34) SLC6A9SMN1; SMN2TSHRKDM4EPOLB
SCHEMBL26035216 0.84 CNR1 (0.32) SMN1; SMN2PTGS2PTGS1MCHR1MEN1
SCHEMBL21361303 0.83 CYP2D6 (0.41) SMN1; SMN2TSHRCYP2D6ALDH1A1
SCHEMBL21361260 0.82 CYP2D6 (0.45) SMN1; SMN2TSHRCYP2D6MEN1ALDH1A1
SCHEMBL21361284 0.81 HDAC2 (0.37) TSHRCYP2D6ALDH1A1
SCHEMBL24120471 0.81 MCHR1 (0.34) PTGS2PTGS1MCHR1LMNA

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
EP-3765445-B1 SPIRO CYCLOHEXANEDIONE DERIVATES AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2023-08-30 EP disclosed
US-20210000113-A1 SPIRO CYCLOHEXANEDIONE DERIVATES AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2021-01-07 US disclosed
WO-2019175117-A1 SPIRO CYCLOHEXANEDIONE DERIVATES AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2019-09-19 WO 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-20210000113-A1 SPIRO CYCLOHEXANEDIONE DERIVATES AS HERBICIDES CBR3, DDT, CBR1 SLC6A9 1914/4885SMN1; SMN2 4607/4885PTGS2 1506/4885

“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.