SCHEMBL8212499

SCHEMBL8212499

COc1ccc(N2CC3CCC2CCN3)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CHRNB2 P17787 4/20 0.44
CHRNA4 P43681 4/20 0.44
SIGMAR1 Q99720 2/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
ADRB1 P08588 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
OPRM1 P35372 1/20 0.40
FFAR1 O14842 1/20 0.38
GRIA2 P42262 1/20 0.36
POLB P06746 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
SCHEMBL4315326 1.00 GAA (0.46) GAAL3MBTL1CHRNB2CHRNA4SIGMAR1
SCHEMBL4307302 0.76 MAPT (0.40) GAAL3MBTL1CHRNB2CHRNA4HRH3
SCHEMBL8223424 0.76 MAPT (0.40) GAAL3MBTL1CHRNB2CHRNA4HRH3
SCHEMBL24635866 0.76 CHRNB2 (0.68) GAAL3MBTL1CHRNB2CHRNA4
SCHEMBL24028246 0.76 CHRNB2 (0.68) GAAL3MBTL1CHRNB2CHRNA4
SCHEMBL10153424 0.76 CHRNB2 (0.68) GAAL3MBTL1CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL30261864 0.75 CHRNB2 (0.67) GAAL3MBTL1CHRNB2CHRNA4
SCHEMBL25855534 0.72 GAA (0.46) GAAL3MBTL1CHRNB2CHRNA4SIGMAR1
SCHEMBL25855613 0.72 GAA (0.46) GAAL3MBTL1CHRNB2CHRNA4SIGMAR1
SCHEMBL5374497 0.71 CHRNB2 (0.77) CHRNB2CHRNA4

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-3267996-B1 PYRAZOLOPYRIMIDINE INHIBITORS OF IRAK4 ACTIVITY MERCK SHARP & DOHME (US) 2020-11-11 EP disclosed
US-10329294-B2 Pyrazolopyrimidine inhibitors of IRAK4 activity MERCK SHARP & DOHME CORP. (US) 2019-06-25 US disclosed
US-20180051028-A1 PYRAZOLOPYRIMIDINE INHIBITORS OF IRAK4 ACTIVITY MERCK SHARP & DOHME CORP. (US) 2018-02-22 US disclosed
EP-3267996-A1 PYRAZOLOPYRIMIDINE INHIBITORS OF IRAK4 ACTIVITY Merck Sharp & Dohme Corp. (US) 2018-01-17 EP disclosed
WO-2016144846-A1 PYRAZOLOPYRIMIDINE INHIBITORS OF IRAK4 ACTIVITY MERCK SHARP & DOHME CORP. (US) 2016-09-15 WO disclosed
US-20090239843-A1 Bridged diazepan orexin receptor antagonists MERCK SHARP & DOHME LLC 2009-09-24 US disclosed
WO-2008008517-A2 BRIDGED DIAZEPAN OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2008-01-17 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-10329294-B2 Pyrazolopyrimidine inhibitors of IRAK4 activity IRAK4, IRAK2, IRAK1 GAA 2123/4885L3MBTL1 1305/4885CHRNB2 4388/4885
US-20180051028-A1 PYRAZOLOPYRIMIDINE INHIBITORS OF IRAK4 ACTIVITY IRAK4, IRAK2, IRAK1 GAA 2123/4885L3MBTL1 1305/4885CHRNB2 4388/4885
US-20090239843-A1 Bridged diazepan orexin receptor antagonists HCRTR2, HCRTR1, CRHR1 GAA 2197/4885L3MBTL1 4413/4885CHRNB2 180/4885

“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.