SCHEMBL829661

SCHEMBL829661

CC(C)(C)C1C=CCN1C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.35

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
SCHEMBL23059485 0.82 RIPK1 (0.37) ACE
SCHEMBL29205754 0.81
SCHEMBL31510820 0.72
SCHEMBL25391662 0.71
SCHEMBL4461003 0.68 ACE (0.59) ACE
SCHEMBL2229670 0.68 ACE (0.59) ACE
SCHEMBL28697281 0.67 CYP3A4 (0.35)
SCHEMBL2559557 0.66 ACE (0.38) ACE
SCHEMBL29279167 0.66 CYP3A4 (0.31)
SCHEMBL19620143 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117098761-A Imidazo [4,5-d ] pyridazine derivatives, preparation thereof and therapeutic use thereof 赛诺菲 2023-11-21 CN disclosed
CN-116867758-A IRAK degradation agents and uses thereof 凯麦拉医疗公司 2023-10-10 CN disclosed
US-8343763-B2 Heterocyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-01 US disclosed
US-20120149742-A1 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-14 US disclosed
US-8143297-B2 Heterocyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-27 US disclosed
US-20110098328-A1 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-28 US disclosed
EP-2307412-A2 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS Vertex Pharmaceuticals Incorporated (US) 2011-04-13 EP disclosed
US-7846954-B2 Heterocyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-07 US disclosed
US-20100004300-A1 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-01-07 US disclosed
WO-2010002956-A2 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-01-07 WO 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 (3 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-20120149742-A1 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS TRPV1, KCNJ2, KCNN3 ACE 2640/4885
US-20100004300-A1 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS TRPV1, KCNJ2, KCNN3 ACE 2640/4885
US-20110098328-A1 HETEROCYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS TRPV1, KCNJ2, KCNN3 ACE 2640/4885

“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.