SCHEMBL22992138

SCHEMBL22992138

CC#Cc1cc(C)c(C2C(=O)CC3(CCN(C(=O)c4ncccn4)CC3)CC2=O)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.40
ALDH1A1 P00352 7/20 0.33
HSD17B10 Q99714 7/20 0.33
HPGD P15428 6/20 0.33
CYP2D6 P10635 6/20 0.33
CYP2C9 P11712 5/20 0.33
CYP2C19 P33261 5/20 0.33
CYP1A2 P05177 4/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NSD2 O96028 2/20 0.33
CYP3A4 P08684 4/20 0.32
SMN1; SMN2 Q16637 4/20 0.32
MAPK1 P28482 3/20 0.32
USP2 O75604 3/20 0.32
GRM5 P41594 1/20 0.32
PARP15 Q460N3 1/20 0.32
TSHR P16473 2/20 0.31
CNR2 P34972 1/20 0.31

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
SCHEMBL21344636 0.89 L3MBTL1 (0.44) ALDH1A1HSD17B10HPGDCYP2D6CYP2C9
SCHEMBL21343728 0.88 CYP3A4 (0.31) MEN1KMT2ANSD2CYP3A4
SCHEMBL21344281 0.87 DPP4 (0.38) ALDH1A1HSD17B10HPGDNSD2CYP3A4
SCHEMBL22992238 0.87
SCHEMBL21343719 0.87 ACACA (0.31)
SCHEMBL21343720 0.86 NPY2R (0.37) ALDH1A1HSD17B10HPGDCYP2D6CYP2C9
SCHEMBL22992155 0.86 CYP3A4 (0.44) ALDH1A1HSD17B10HPGDCYP2D6CYP2C9
SCHEMBL22992134 0.85 MGLL (0.36) CYP2D6CYP2C9CYP2C19CYP1A2MEN1
SCHEMBL22992053 0.85 CHRNA4 (0.36) ALDH1A1HSD17B10HPGDCYP2D6CYP2C19
SCHEMBL21344843 0.85 NAMPT (0.35) CHRM2ALDH1A1HSD17B10HPGDCYP2D6

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 4 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

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 123/4885ALDH1A1 57/4885HSD17B10 214/4885
US-12043599-B2 Herbicidal compounds DDT, CBR3, GLRX3 CHRM2 123/4885ALDH1A1 57/4885HSD17B10 214/4885

“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.