SCHEMBL4136881

SCHEMBL4136881

COc1ccc(-c2ccc(N3CCC4(CC3)CCN(C3CCC3)C4)nc2)cn1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.43
KCNH2 Q12809 2/20 0.43
RET P07949 5/20 0.41
SCD O00767 1/20 0.39
BRD4 O60885 1/20 0.38
PDE10A Q9Y233 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
SCHEMBL4129100 0.89 SCD (0.52) HRH3KCNH2SCD
SCHEMBL4129879 0.83 SCD (0.53) HRH3KCNH2SCD
SCHEMBL4135823 0.83 ACVR1 (0.41) HRH3RET
SCHEMBL4130256 0.77 HRH3 (0.58) HRH3
SCHEMBL4134876 0.77 GRIN2D (0.40) HRH3RETPDE10A
SCHEMBL4136329 0.77 HRH3 (0.42) HRH3KCNH2RET
SCHEMBL4135879 0.77 ACVR1 (0.42) HRH3KCNH2RET
SCHEMBL4131615 0.77 HRH3 (0.57) HRH3
SCHEMBL14387229 0.77 SCD (0.43) HRH3KCNH2SCD
SCHEMBL4136921 0.76 KDM2B (0.44) HRH3RET

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 6 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

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 3110/4885RET 666/4885

“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.