SCHEMBL25870309

SCHEMBL25870309

Cc1cc([C@@H]2[C@@H](C=O)C2(Cl)Cl)ccc1F

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.47
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
ABCC9 O60706 1/20 0.32
ABCC8 Q09428 1/20 0.32
KCNJ11 Q14654 1/20 0.32
KCNJ8 Q15842 1/20 0.32
HTR7 P34969 1/20 0.30

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
SCHEMBL18143633 0.82 CYP2D6 (0.37) SLC6A2SLC6A4SLC6A3ABCC9ABCC8
SCHEMBL18143632 0.82 CYP2D6 (0.37) SLC6A2SLC6A4SLC6A3ABCC9ABCC8
SCHEMBL18143634 0.82 CYP2D6 (0.37) SLC6A2SLC6A4SLC6A3ABCC9ABCC8
SCHEMBL21996099 0.78 ADRA2A (0.38) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL30138582 0.78 ADRA2A (0.38) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL23961571 0.78 ADRA2A (0.38) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL30799673 0.78 ADRA2A (0.38) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL20045619 0.75 SLC9A1 (0.54) SLC9A1HTR7
SCHEMBL20045114 0.75 SLC9A1 (0.54) SLC9A1HTR7
SCHEMBL18157863 0.75 SLC9A1 (0.54) SLC9A1HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230220427-A1 PROCESSES RELATED TO FORMATION OF ARYLCYCLOPROPYL CARBOXYLIC ACIDS CORTEVA AGRISCIENCE LLC (US) 2023-07-13 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 (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-20230220427-A1 PROCESSES RELATED TO FORMATION OF ARYLCYCLOPROPYL CARBOXYLIC ACIDS DDT, PCCA, DDC SLC9A1 4409/4885HTR2A 1825/4885HTR2C 1557/4885

“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.