SCHEMBL21361295

SCHEMBL21361295

Cc1cc(-c2ccc(C#N)cn2)cc(C)c1C1C(=O)CC2(CCN(C(=O)NC(=O)c3ccccn3)CC2)CC1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 4/20 0.37
CACNA1H O95180 2/20 0.35
CYP3A4 P08684 3/20 0.35
CYP1A2 P05177 2/20 0.35
MAPK1 P28482 1/20 0.35
GRM4 Q14833 1/20 0.34
HCRTR1 O43613 1/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
P2RX7 Q99572 1/20 0.34
HIF1A Q16665 2/20 0.33
XIAP P98170 1/20 0.33
BIRC2 Q13490 1/20 0.33
BACE1 P56817 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL21361293 0.90 ALDH1A1 (0.39) CYP3A4CYP1A2MAPK1ALDH1A1CYP2D6
SCHEMBL24120314 0.88 GPR6 (0.36) GPR6GRM4BACE1NPC1RAB9A
SCHEMBL21361294 0.85 PANK3 (0.35) CYP3A4CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL21343683 0.84 GAA (0.39) CYP3A4MAPK1GRM4ALDH1A1CYP2D6
SCHEMBL24120423 0.84 CYP11B1 (0.37) GPR6CYP3A4CYP1A2MAPK1HCRTR1
SCHEMBL21361290 0.84 CSNK1E (0.39) CYP3A4CYP1A2CYP2C9TSHRP2RX7
SCHEMBL21361283 0.83 CYP1A2 (0.41) CYP1A2CYP2D6CYP2C9TSHRHIF1A
SCHEMBL21361231 0.83 TNKS2 (0.36) CACNA1HCYP3A4GRM4ALDH1A1CYP2D6
SCHEMBL22942059 0.83 RAB9A (0.35) CYP3A4MAPK1GRM4ALDH1A1CYP2D6
SCHEMBL21361301 0.83 GRM5 (0.45) CYP3A4CYP2D6SMN1; SMN2

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 GPR6 2145/4885CACNA1H 2845/4885CYP3A4 259/4885

“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.