Sugi Predict

Sugi Predict / Compounds / SCHEMBL4134876

SCHEMBL4134876

SCHEMBL4134876

Brc1ccc(N2CCC3(CC2)CCN(C2CCC2)C3)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 1/20 0.40
▸ GRIN3B O60391 1/20 0.40
▸ GRIN1 Q05586 1/20 0.40
▸ GRIN2A Q12879 1/20 0.40
▸ GRIN2B Q13224 1/20 0.40
▸ GRIN2C Q14957 1/20 0.40
▸ GRIN3A Q8TCU5 1/20 0.40
▸ AKR1C3 P42330 1/20 0.40
▸ HRH3 Q9Y5N1 7/20 0.39
▸ CXCR3 P49682 1/20 0.39
▸ PDE10A Q9Y233 1/20 0.38
▸ ADRA1A P35348 1/20 0.36
▸ RET P07949 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP2D6 P10635 2/20 0.35
▸ TSHR P16473 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ LCAT P04180 1/20 0.35
▸ CYP3A4 P08684 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
SCHEMBL4130613 0.94 GRIN2D (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4122718 0.93 HRH3 (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1744762 0.83 HRH3 (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3621738 0.80 HRH3 (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4135823 0.80 ACVR1 (0.41) HRH3RETALDH1A1CYP1A2CYP2D6
SCHEMBL1466003 0.80 AKR1C3 (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4290718 0.79 HRH3 (0.60) HRH3ADRA1A
SCHEMBL4135634 0.79 L3MBTL3 (0.45) HRH3
SCHEMBL5258100 0.77 L3MBTL3 (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4136881 0.77 HRH3 (0.43) HRH3PDE10ARET

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 9 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
EP-2021004-A2 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION (US) 2009-02-11 — — EP 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
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
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 GRIN2D 337/4885GRIN3B 95/4885GRIN1 109/4885

“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.