SCHEMBL24925779

SCHEMBL24925779

CCC(=O)N1CCc2cccc(C(F)(F)F)c2C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 1/20 0.49
DRD2 P14416 1/20 0.47
NOTUM Q6P988 1/20 0.45
CREBBP Q92793 2/20 0.44
BRD4 O60885 1/20 0.44
ABHD6 Q9BV23 1/20 0.44
HPGDS O60760 1/20 0.42
ACACB O00763 2/20 0.41
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NAMPT P43490 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ACKR3 P25106 3/20 0.40
EP300 Q09472 1/20 0.40
SCN9A Q15858 1/20 0.40
MAPK1 P28482 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL20738604 0.85 NOTUM (0.56) PHGDHDRD2NOTUMCREBBPBRD4
SCHEMBL2930889 0.83 PHGDH (0.50) PHGDHDRD2NOTUMABHD6ACACB
SCHEMBL3885156 0.82 ESR1 (0.51) PHGDHDRD2NOTUMCREBBPABHD6
SCHEMBL20389165 0.80 ESR2 (0.52) PHGDHDRD2NOTUMABHD6NAMPT
SCHEMBL6466785 0.76 DRD2 (0.51) PHGDHDRD2NOTUMACACBMEN1
SCHEMBL303340 0.75 NOTUM (0.67) NOTUMALDH1A1HTTSMN1; SMN2KDM4E
SCHEMBL13487186 0.75 NOTUM (0.67) NOTUMALDH1A1HTTSMN1; SMN2KDM4E
SCHEMBL12852534 0.74 MAOA (0.52) PHGDHDRD2NOTUMALDH1A1PKM
SCHEMBL19969739 0.74 DRD2 (0.54) PHGDHDRD2ACACBKMT2A
SCHEMBL16715427 0.73 BLM (0.59) NOTUMALDH1A1HTTNAMPTKDM4E

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-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2023-01-19 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-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS MAPK1, ALK, MAP3K1 PHGDH 3159/4885DRD2 3577/4885NOTUM 4102/4885

“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.