SCHEMBL16501526

SCHEMBL16501526

CC(=O)[C@H]1CC=C[C@@H](N2CCN(C)CC2)C1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ ABAT P80404 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.30

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
SCHEMBL16501533 1.00 TDP1 (0.33) TDP1CYP1A2HTTLMNAABAT
SCHEMBL16501524 1.00 TDP1 (0.33) TDP1CYP1A2HTTLMNAABAT
SCHEMBL16501522 1.00 TDP1 (0.33) TDP1CYP1A2HTTLMNAABAT
SCHEMBL13497255 0.87 ABAT (0.46) TDP1HTTLMNAABATKDM4E
SCHEMBL13497265 0.87 ABAT (0.46) TDP1HTTLMNAABATKDM4E
SCHEMBL13497261 0.87 ABAT (0.46) TDP1HTTLMNAABATKDM4E
SCHEMBL15088720 0.87 ABAT (0.46) TDP1HTTLMNAABATKDM4E
SCHEMBL1828453 0.87 ABAT (0.46) TDP1HTTLMNAABATKDM4E
SCHEMBL13497349 0.87 ABAT (0.46) TDP1HTTLMNAABATKDM4E
SCHEMBL13497336 0.87 ABAT (0.46) TDP1HTTLMNAABATKDM4E

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-20110301350-A1 PROCESS FOR PREPARING CYCLOALKYL-SUBSTITUTED PIPERAZINE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-08 — — 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-20110301350-A1 PROCESS FOR PREPARING CYCLOALKYL-SUBSTITUTED PIPERAZINE COMPOUNDS CCNB1, CCNB2, CYP1B1 TDP1 4568/4885CYP1A2 5/4885HTT 4223/4885

“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