SCHEMBL11295344

SCHEMBL11295344

CCCc1nccn1CCO

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.42
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
TLR8 Q9NR97 2/20 0.40
ALPG P10696 2/20 0.39
PLAA Q9Y263 1/20 0.39
ALPL P05186 1/20 0.38
AGTR1 P30556 1/20 0.38
AGTR2 P50052 1/20 0.38
LMNA P02545 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
SCHEMBL31590567 0.89 ALDH1A1 (0.47) KCNH2ALDH1A1POLBKMT2ATLR8
SCHEMBL20425451 0.86 KCNH2 (0.42) KCNH2ALPGPLAAALPL
SCHEMBL4227889 0.86 ALDH1A1 (0.46) KCNH2ALDH1A1POLBKMT2ATLR8
SCHEMBL216892 0.86 TLR8 (0.46) KCNH2ALDH1A1POLBKMT2ATLR8
SCHEMBL218249 0.86 TLR8 (0.46) KCNH2ALDH1A1POLBKMT2ATLR8
SCHEMBL29138650 0.86 TLR8 (0.46) KCNH2ALDH1A1POLBKMT2ATLR8
SCHEMBL14921056 0.86 TLR8 (0.46) KCNH2ALDH1A1POLBKMT2ATLR8
SCHEMBL9979698 0.86 TLR8 (0.46) KCNH2ALDH1A1POLBKMT2ATLR8
SCHEMBL9408468 0.86 TLR8 (0.46) KCNH2ALDH1A1POLBKMT2ATLR8
SCHEMBL18339282 0.86 TLR8 (0.46) KCNH2ALDH1A1POLBKMT2ATLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2773378-B1 PRODRUGS OF NON-STEROID ANTI-INFLAMMATORY AGENTS (NSAIDS) SELCH LARSEN CLAUS (DK) 2016-08-10 EP claimed
EP-3511003-A1 CYCLIC AMINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF Toray Industries, Inc. (JP) 2019-07-17 EP disclosed
US-9809557-B2 Prodrugs of non-steroid anti-inflammatory agents (NSAIDS) SELCH LARSEN CLAUS (DK) 2017-11-07 US disclosed
US-9809557-B2 Prodrugs of non-steroid anti-inflammatory agents (NSAIDS) SELCH LARSEN CLAUS (DK) 2017-11-07 US disclosed
US-20140315960-A1 PRODRUGS OF NON-STEROID ANTI-INFLAMMATORY AGENTS (NSAIDS) SELCH LARSEN CLAUS (DK) 2014-10-23 US disclosed
US-20140315960-A1 PRODRUGS OF NON-STEROID ANTI-INFLAMMATORY AGENTS (NSAIDS) SELCH LARSEN CLAUS (DK) 2014-10-23 US disclosed
EP-0049913-A2 New ethenylimidazole derivatives, processes for their preparation and pharmaceutical compositions containing them; intermediates, useful in their preparation and a process for the preparation thereof GIST-BROCADES N.V. (NL) 1982-04-21 EP 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-20140315960-A1 PRODRUGS OF NON-STEROID ANTI-INFLAMMATORY AGENTS (NSAIDS) MMP1, MIF, CYP21A2 KCNH2 4085/4885ALDH1A1 406/4885POLB 4171/4885

“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.