SCHEMBL4136337

SCHEMBL4136337

CNC(=O)c1ccc(-c2cnc(N3CCC4(CC3)CCN(C3CCC3)CC4)nc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.44
ADRA1A P35348 1/20 0.39
CYP11B2 P19099 1/20 0.39
HSD11B1 P28845 2/20 0.39
L3MBTL3 Q96JM7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HRH1 P35367 1/20 0.38
MTOR P42345 2/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CG P48736 1/20 0.37
TLR9 Q9NR96 2/20 0.37
TLR8 Q9NR97 2/20 0.37
TLR7 Q9NYK1 2/20 0.37
PTPN11 Q06124 1/20 0.37
CYP3A4 P08684 2/20 0.37
USP2 O75604 1/20 0.37
CYP2D6 P10635 1/20 0.37
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
TLR4 O00206 1/20 0.37

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
SCHEMBL4127896 0.89 HRH3 (0.46) HRH3ADRA1AHSD11B1CYP3A4
SCHEMBL4130708 0.88 HRH3 (0.43) HRH3ADRA1ATLR9TLR8TLR7
SCHEMBL4928014 0.88 HRH3 (0.46) HRH3ADRA1AMTORPIK3CAPIK3CG
SCHEMBL4136937 0.82 HRH3 (0.50) HRH3L3MBTL3L3MBTL1CYP3A4
SCHEMBL4136720 0.82 HRH3 (0.47) HRH3ADRA1A
SCHEMBL4937015 0.82 GAA (0.46) HRH3ADRA1ACYP3A4USP2CYP2D6
SCHEMBL4130565 0.82 HRH3 (0.52) HRH3ADRA1A
SCHEMBL4131567 0.80 HRH3 (0.47) HRH3L3MBTL3L3MBTL1CYP3A4
SCHEMBL4122869 0.80 NPC1 (0.44) HRH3
SCHEMBL4927822 0.79 HRH3 (0.47) HRH3L3MBTL3L3MBTL1CYP2D6

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-2021004-A2 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION (US) 2009-02-11 EP claimed
US-20080247964-A1 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION 2008-10-09 US claimed
WO-2007133561-A2 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION (US) 2007-11-22 WO claimed
US-20080247964-A1 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION 2008-10-09 US disclosed
US-20080247964-A1 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION 2008-10-09 US disclosed
US-20080247964-A1 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION 2008-10-09 US disclosed
WO-2007133561-A2 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION (US) 2007-11-22 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 (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-20080247964-A1 SUBSTITUTED AZASPIRO DERIVATIVES HRH3, HRH4, HRH1 HRH3 1/4885ADRA1A 420/4885CYP11B2 1369/4885

“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.