SCHEMBL25839409

SCHEMBL25839409

COCCCN1CCN(c2ccc(C(C)C)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
DRD2 P14416 6/20 0.50
HTR1A P08908 5/20 0.50
HTR2A P28223 5/20 0.50
DRD3 P35462 5/20 0.50
TMEM97 Q5BJF2 3/20 0.50
SIGMAR1 Q99720 3/20 0.50
HSD17B10 Q99714 1/20 0.50
HRH1 P35367 2/20 0.49
DRD1 P21728 1/20 0.48
DRD5 P21918 1/20 0.48
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
KDM2B Q8NHM5 1/20 0.47
HTR7 P34969 1/20 0.47
ADRA1A P35348 1/20 0.47
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 1/20 0.47

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
SCHEMBL12089874 0.91 KDM2B (0.55) MEN1KMT2ADRD2HTR1AHSD17B10
SCHEMBL23097718 0.85 DRD2 (0.68) DRD2HTR1AHTR2ADRD3TMEM97
SCHEMBL13103801 0.83 DRD2 (0.56) DRD2HTR1AHTR2ADRD3TMEM97
SCHEMBL25839407 0.82 SLC6A2 (0.50) MEN1KMT2ADRD2HTR1AHTR2A
SCHEMBL19297522 0.82 SLC6A2 (0.60) DRD2HTR1AHTR2ADRD3TMEM97
SCHEMBL29314713 0.81 SIGMAR1 (0.71) DRD2HTR1AHTR2ADRD3TMEM97
SCHEMBL20231608 0.81 DRD2 (0.51) MEN1KMT2ADRD2HTR1AHTR2A
SCHEMBL13436345 0.80 HRH3 (0.41) MEN1KMT2ADRD2HTR1AHTR2A
SCHEMBL12278862 0.78 ALDH1A1 (0.58) MEN1KMT2ADRD2HTR1AHTR2A
SCHEMBL24478533 0.78 HSD17B10 (0.51) KMT2ADRD2HTR1ASIGMAR1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11697648-B2 Fused pyrimidine pyridinone compounds as JAK inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-07-11 US disclosed
US-11697648-B2 Fused pyrimidine pyridinone compounds as JAK inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-07-11 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-11697648-B2 Fused pyrimidine pyridinone compounds as JAK inhibitors JAK3, JAK1, JAK2 MEN1 4006/4885KMT2A 2231/4885DRD2 3573/4885

“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.