SCHEMBL16786554

SCHEMBL16786554

CC(=O)C1CCN(C)C[C@@H]1N

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 5/20 0.36
▸ SLC6A4 P31645 5/20 0.36
▸ SLC6A3 Q01959 5/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ NCF1 P14598 1/20 0.34
▸ CHRM4 P08173 1/20 0.34
▸ CHRM5 P08912 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ CHRM3 P20309 1/20 0.34

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
SCHEMBL16786551 1.00 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3ALDH1A1NCF1
SCHEMBL13388848 0.83 ALDH1A1 (0.35) ALDH1A1CHRM4CHRM3
SCHEMBL13544941 0.78 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL13544944 0.78 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL14593819 0.78 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL23269572 0.73 GABRR1 (0.44) SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL19781544 0.73 GABRR1 (0.44) SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL23269569 0.73 EPHX1 (0.38) SLC6A2SLC6A4SLC6A3ALDH1A1NCF1
SCHEMBL19781548 0.73 EPHX1 (0.38) SLC6A2SLC6A4SLC6A3ALDH1A1NCF1
SCHEMBL23269565 0.73 GABRR1 (0.44) SLC6A2SLC6A4SLC6A3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9944622-B2 Pyrimidinyl tyrosine kinase inhibitors BIOGEN MA INC. (US) 2018-04-17 — — US disclosed
US-20160304494-A1 PYRIMIDINYL TYROSINE KINASE INHIBITORS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2016-10-20 — — US disclosed
US-9394277-B2 Pyrimidinyl tyrosine kinase inhibitors BIOGEN MA INC. (US) 2016-07-19 — — US disclosed
US-20150158843-A1 PYRIMIDINYL TYROSINE KINASE INHIBITORS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2015-06-11 — — 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 (2 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-20150158843-A1 PYRIMIDINYL TYROSINE KINASE INHIBITORS ABL1, BTK, ABL2 SLC6A2 3363/4885SLC6A4 3909/4885SLC6A3 2454/4885
US-20160304494-A1 PYRIMIDINYL TYROSINE KINASE INHIBITORS ABL1, BTK, ABL2 SLC6A2 3363/4885SLC6A4 3909/4885SLC6A3 2454/4885

“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.

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