SCHEMBL3630903

SCHEMBL3630903

CC(C)(C)CNC1CC[CH]CC1

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.40
KDM1A O60341 2/20 0.32

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
SCHEMBL9280974 0.85
Hydrochloric Acid SCHEMBL17700376 0.82 IRAK4 (0.40) IRAK4
SCHEMBL9285591 0.80 KDM4E (0.39) IRAK4
SCHEMBL9284576 0.80 IRAK4 (0.36) IRAK4
SCHEMBL18177820 0.78 KDM4E (0.43) IRAK4
SCHEMBL11053891 0.78 KDM4E (0.43) IRAK4
SCHEMBL13369708 0.74 GNAI3 (0.46) IRAK4
SCHEMBL1104711 0.74 KDM1A (0.40) IRAK4KDM1A
SCHEMBL21799913 0.74 IRAK4 (0.36) IRAK4
SCHEMBL15315435 0.74 EPHX2 (0.38) IRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190225587-A1 INDAZOLYL- AND INDOLYL-BENZAMIDE DERIVATIVES ESANEX, INC. 2019-07-25 US disclosed
US-10246421-B2 Indazolyl- and indolyl-benzamide derivatives ESANEX, INC. (US) 2019-04-02 US disclosed
EP-3191473-A1 INDAZOLYL- AND INDOLYL-BENZAMIDE DERIVATIVES Esanex, Inc. (US) 2017-07-19 EP disclosed
WO-2016040809-A1 INDAZOLYL- AND INDOLYL-BENZAMIDE DERIVATIVES ESANEX, INC. (US) 2016-03-17 WO disclosed
US-20160075662-A1 INDAZOLYL- AND INDOLYL-BENZAMIDE DERIVATIVES ESANEX, INC. 2016-03-17 US disclosed
EP-2146967-A2 TETRAHYDROINDOLE AND TETRAHYDROINDAZOLE DERIVATIVES Serenex, Inc. (US) 2010-01-27 EP disclosed
WO-2008130879-A2 TETRAHYDROINDOLE AND TETRAHYDROINDAZOLE DERIVATIVES SERENEX, INC. (US) 2008-10-30 WO disclosed
US-20080269193-A1 Tetrahydroindole and Tetrahydroindazole Derivatives SERENEX, INC. 2008-10-30 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 (4 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-10246421-B2 Indazolyl- and indolyl-benzamide derivatives IDO2, MKI67, IDO1 IRAK4 216/4885KDM1A 1556/4885
US-20190225587-A1 INDAZOLYL- AND INDOLYL-BENZAMIDE DERIVATIVES IDO2, MKI67, IDO1 IRAK4 216/4885KDM1A 1556/4885
US-20080269193-A1 Tetrahydroindole and Tetrahydroindazole Derivatives HSF1, HSP90AB1, TPH1 IRAK4 3747/4885KDM1A 3370/4885
US-20160075662-A1 INDAZOLYL- AND INDOLYL-BENZAMIDE DERIVATIVES IDO2, MKI67, IDO1 IRAK4 216/4885KDM1A 1556/4885

“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.