SCHEMBL21344670

SCHEMBL21344670

CC#Cc1cc(C)c(C2C(=O)CC3(CCN(C(=O)c4ccccc4)CC3)CC2=O)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.42
CHRM3 P20309 3/20 0.42
AR P10275 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
GABRA4 P48169 1/20 0.39
GRM5 P41594 1/20 0.38
CRBN Q96SW2 1/20 0.38
HRH3 Q9Y5N1 3/20 0.38
ACHE P22303 1/20 0.38
ALDH1A1 P00352 2/20 0.38
TP53 P04637 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL21344240 0.93 ALDH1A1 (0.42) CHRM2CHRM3ALDH1A1TP53CYP2C9
SCHEMBL22992155 0.91 CYP3A4 (0.44) ALDH1A1CYP2C9CYP2C19USP2CYP3A4
SCHEMBL23748397 0.90 GRM5 (0.35) CHRM2CHRM3ARGRM5CRBN
SCHEMBL24426554 0.89 ALDH1A1 (0.43) ALDH1A1CYP2C9CYP2C19POLBHTT
SCHEMBL21344669 0.89 CHRM2 (0.45) CHRM2ALDH1A1POLBHTT
SCHEMBL22992075 0.88 GAA (0.41) ALDH1A1CYP2C9CYP2C19POLBHTT
SCHEMBL21274089 0.87 BTK (0.30)
SCHEMBL22992057 0.86 ACACA (0.38) CYP2C9USP2CYP3A4
SCHEMBL22992174 0.86 HTT (0.41) ALDH1A1TP53CYP2C9CYP2C19HTT
SCHEMBL21343732 0.86 FAAH (0.35) CHRM2CHRM3ALDH1A1CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043599-B2 Herbicidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2024-07-23 US disclosed
US-12043599-B2 Herbicidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2024-07-23 US disclosed
EP-3762378-B1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2022-05-18 EP disclosed
US-20210047274-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2021-02-18 US disclosed
WO-2021018826-A1 CYCLIC DIONES AS HERBICIDES SYNGENTA CROP PROTECTION AG (CH) 2021-02-04 WO disclosed
WO-2019170745-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2019-09-12 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 (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-20210047274-A1 HERBICIDAL COMPOUNDS DDT, CBR3, GLRX3 CHRM2 123/4885CHRM3 250/4885AR 3790/4885
US-12043599-B2 Herbicidal compounds DDT, CBR3, GLRX3 CHRM2 123/4885CHRM3 250/4885AR 3790/4885

“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.