SCHEMBL26613003

SCHEMBL26613003

N[C@@H]1CC[C@@H]1C(=O)Nc1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 1/20 0.48
▸ GRM4 Q14833 1/20 0.47
▸ KDR P35968 9/20 0.45
▸ BRAF P15056 4/20 0.45
▸ CDK8 P49336 1/20 0.43
▸ KCNQ3 O43525 1/20 0.42
▸ KCNQ2 O43526 1/20 0.42
▸ KCNE1 P15382 1/20 0.42
▸ KCNQ1 P51787 1/20 0.42
▸ UBE2M P61081 1/20 0.41
▸ DCUN1D1 Q96GG9 1/20 0.41
▸ NPY5R Q15761 1/20 0.41

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
Bromide SCHEMBL30638609 0.99 AR (0.47) ARGRM4KDRBRAFCDK8
SCHEMBL24516620 0.92 AR (0.46) ARGRM4KDRBRAFCDK8
SCHEMBL24515710 0.92 AR (0.46) ARGRM4KDRBRAF
SCHEMBL24516621 0.92 AR (0.46) ARGRM4KDRBRAFCDK8
Hydrochloric Acid SCHEMBL26613248 0.91 AR (0.45) ARGRM4KDRBRAFCDK8
SCHEMBL24515714 0.84 AR (0.51) ARGRM4KDRBRAFCDK8
SCHEMBL24515205 0.84 AR (0.45) ARGRM4KDRBRAFCDK8
SCHEMBL24515203 0.84 AR (0.45) ARGRM4KDRBRAFCDK8
SCHEMBL24515852 0.83 AR (0.44) ARGRM4KDRBRAFCDK8
SCHEMBL24515838 0.83 AR (0.44) ARGRM4KDRBRAFCDK8

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-20230348363-A1 COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2023-11-02 — — 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-20230348363-A1 COMPOUNDS AND THEIR USE RXFP1, RXFP3, RXFP2 AR 1660/4885GRM4 2583/4885KDR 1522/4885

“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.

Send feedback