SCHEMBL4139999

SCHEMBL4139999

c1ncc(-c2ccc(N3CCC4(CC3)CCN(C3CCC3)CC4)cn2)cn1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.40
KCNH2 Q12809 2/20 0.40
KDM2B Q8NHM5 1/20 0.39
L3MBTL3 Q96JM7 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CDK4 P11802 2/20 0.36
ROCK2 O75116 3/20 0.34
ROCK1 Q13464 3/20 0.34
CDC42BPA Q5VT25 3/20 0.34
CDC42BPB Q9Y5S2 3/20 0.34
CHRNB2 P17787 2/20 0.33
CHRNA7 P36544 2/20 0.33
CHRNA4 P43681 2/20 0.33

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
SCHEMBL4136957 0.85 HRH3 (0.47) HRH3KCNH2KDM2BL3MBTL3L3MBTL1
SCHEMBL4928223 0.84 HRH3 (0.40) HRH3KCNH2KDM2BL3MBTL3L3MBTL1
SCHEMBL4136820 0.81 HRH3 (0.37) HRH3KCNH2KDM2B
SCHEMBL4935121 0.79 HRH3 (0.41) HRH3KCNH2KDM2BROCK2ROCK1
SCHEMBL4936803 0.79 USP2 (0.47) HRH3KDM2BL3MBTL3L3MBTL1
SCHEMBL4130945 0.78 HRH3 (0.43) HRH3L3MBTL3L3MBTL1
SCHEMBL4136329 0.77 HRH3 (0.42) HRH3KCNH2KDM2B
SCHEMBL4938014 0.77 HRH3 (0.42) HRH3L3MBTL3L3MBTL1
SCHEMBL4147059 0.77 HRH3 (0.45) HRH3CDK4
SCHEMBL4136714 0.76 L3MBTL3 (0.51) HRH3L3MBTL3L3MBTL1CDK4

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 1/4885KCNH2 3110/4885KDM2B 577/4885

“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.