SCHEMBL4130564

SCHEMBL4130564

CN(C)Cc1ccc(N2CCC3(CC2)CCN(C2CCC2)CC3)nc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMO Q99835 1/20 0.46
HRH3 Q9Y5N1 9/20 0.38
ADRA1A P35348 1/20 0.38
TLR9 Q9NR96 2/20 0.37
TLR7 Q9NYK1 2/20 0.37
TLR8 Q9NR97 1/20 0.36
POLB P06746 1/20 0.36
KIT P10721 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
OPRL1 P41146 1/20 0.34
CHIA Q9BZP6 1/20 0.34
KIF18A Q8NI77 1/20 0.34

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
SCHEMBL4134780 0.84 SMO (0.43) SMOHRH3ADRA1APOLBKIF18A
SCHEMBL4936141 0.82 L3MBTL3 (0.46) HRH3
SCHEMBL4146940 0.81 L3MBTL3 (0.45) HRH3ALDH1A1
SCHEMBL4136869 0.80 ALDH1A1 (0.49) HRH3ADRA1APOLBALDH1A1
SCHEMBL4929423 0.80 HRH3 (0.47) HRH3
SCHEMBL4937043 0.79 HRH3 (0.35) HRH3ADRA1AALDH1A1CYP1A2CYP2D6
SCHEMBL4131264 0.79 HRH3 (0.47) HRH3
SCHEMBL4136877 0.79 ADRA1A (0.42) HRH3ADRA1A
SCHEMBL4122718 0.78 HRH3 (0.42) HRH3ADRA1AALDH1A1CYP1A2CYP2D6
SCHEMBL4131128 0.78 RET (0.36) HRH3ADRA1ATLR7

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 SMO 735/4885HRH3 1/4885ADRA1A 420/4885

“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.