SCHEMBL21361301

SCHEMBL21361301

Cc1cc(-c2ccc(C#N)cn2)cc(C)c1C1C(=O)CC2(CCN(C(=O)c3ccccc3)CC2)CC1=O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.45
ACACA Q13085 2/20 0.40
FASN P49327 10/20 0.40
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
CCNK O75909 1/20 0.39
CDK12 Q9NYV4 1/20 0.39
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
AR P10275 1/20 0.38
SMO Q99835 1/20 0.37

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
SCHEMBL24120369 0.91 GRM5 (0.44) GRM5FASNPDK1PDK2CCNK
SCHEMBL21361293 0.89 ALDH1A1 (0.39) ACACAFASNCYP3A4CYP2D6
SCHEMBL21361283 0.89 CYP1A2 (0.41) ACACAFASNCYP2D6
SCHEMBL21361291 0.87 FASN (0.37) ACACAFASN
SCHEMBL24324810 0.87 ACACA (0.35) GRM5ACACAFASNCYP2D6
SCHEMBL22908403 0.86 GRM5 (0.43) GRM5PDK1PDK2CYP3A4CYP2D6
SCHEMBL21361287 0.86 IRAK4 (0.37) ACACAFASNPDK1PDK2CYP3A4
SCHEMBL21361223 0.85 JAK2 (0.37) FASN
SCHEMBL21361286 0.85 IRAK4 (0.36) ACACAFASNPDK1PDK2CYP3A4
SCHEMBL24120370 0.85 GRM5 (0.42) GRM5FASNPDK1PDK2CCNK

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 GRM5 1832/4885ACACA 729/4885FASN 1005/4885

“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.