SCHEMBL19203828

SCHEMBL19203828

CN1CCN(C2CCN(C(=O)C3CC3)CC2)CC1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.61
LMNA P02545 2/20 0.54
L3MBTL3 Q96JM7 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HPGD P15428 1/20 0.48
HRH3 Q9Y5N1 2/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA4 P43681 1/20 0.46
CHRNB3 Q05901 1/20 0.46
CHRNA6 Q15825 1/20 0.46
ALDH1A1 P00352 2/20 0.44
TSHR P16473 1/20 0.44
ACACB O00763 2/20 0.43
ACACA Q13085 2/20 0.43
ACHE P22303 1/20 0.43
CHRM2 P08172 1/20 0.41
CHRM1 P11229 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
SCHEMBL15219332 0.93 HTT (0.61) HTTLMNAL3MBTL3L3MBTL1HPGD
SCHEMBL24204687 0.89 HTT (0.56) HTTLMNAL3MBTL3L3MBTL1HPGD
SCHEMBL20160117 0.86 HTT (0.57) HTTLMNAL3MBTL3L3MBTL1HPGD
SCHEMBL24352372 0.86 LMNA (0.60) HTTLMNAL3MBTL3L3MBTL1HPGD
SCHEMBL8191261 0.86 L3MBTL3 (0.57) HTTLMNAL3MBTL3L3MBTL1HPGD
SCHEMBL2075903 0.84 HTT (0.81) HTTLMNAHPGDCHRNB2CHRNA3
SCHEMBL24334506 0.82 HSD11B1 (0.56) HTTLMNAL3MBTL3L3MBTL1ALDH1A1
SCHEMBL27932674 0.82 L3MBTL3 (0.53) L3MBTL3L3MBTL1HRH3ALDH1A1ACACB
SCHEMBL26042842 0.82 L3MBTL3 (0.54) HTTLMNAL3MBTL3L3MBTL1HRH3
SCHEMBL24207499 0.82 CHRNB2 (0.51) HTTLMNAL3MBTL3L3MBTL1HRH3

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-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. 2017-08-03 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-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 HTT 4878/4885LMNA 4121/4885L3MBTL3 4049/4885

“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.