SCHEMBL17776609

SCHEMBL17776609

CC(C)N[C@@H]1CNC[C@@H](F)C1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 2/20 0.33
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31

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
SCHEMBL19760881 1.00 EHMT2 (0.33) EHMT2CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL24850515 1.00 EHMT2 (0.33) EHMT2CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL27089781 0.82 KCNH2 (0.37)
SCHEMBL6036739 0.79
SCHEMBL24981316 0.77
SCHEMBL23765466 0.77
SCHEMBL17776558 0.77
Hydrochloric Acid SCHEMBL20912610 0.77
Hydrochloric Acid SCHEMBL2920991 0.77 CHRNB2 (0.32) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL23970305 0.77 EHMT2 (0.32) EHMT2CHRNB2CHRNB4CHRNA3CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9790221-B2 Heteroaryl compounds as IRAK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2017-10-17 US disclosed
US-9790221-B2 Heteroaryl compounds as IRAK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2017-10-17 US disclosed
US-20160145252-A1 HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-05-26 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-20160145252-A1 HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 EHMT2 2171/4885CHRNB2 4398/4885CHRNB4 4676/4885

“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.