Sugi Predict

Sugi Predict / Compounds / SCHEMBL4130356

SCHEMBL4130356

SCHEMBL4130356

C1CC(N2CCC3(CCNCC3)CC2)C1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 5/20 0.43
▸ L3MBTL3 Q96JM7 3/20 0.41
▸ L3MBTL1 Q9Y468 3/20 0.41
▸ HTR6 P50406 1/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ USP2 O75604 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ TSHR P16473 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HIF1A Q16665 1/20 0.36

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
SCHEMBL345984 0.91 CYP2D6 (0.46) HRH3L3MBTL3L3MBTL1CYP2D6USP2
SCHEMBL4130780 0.90 HRH3 (0.39) HRH3L3MBTL3L3MBTL1HTR6CYP2D6
SCHEMBL13381568 0.89 CYP2D6 (0.40) HRH3L3MBTL3L3MBTL1CYP2D6USP2
Hydrochloric Acid SCHEMBL346675 0.89 CYP2D6 (0.44) HRH3L3MBTL3L3MBTL1CYP2D6USP2
SCHEMBL21560986 0.89 CYP2D6 (0.40) HRH3L3MBTL3L3MBTL1CYP2D6USP2
SCHEMBL4130497 0.88 L3MBTL3 (0.52) HRH3L3MBTL3L3MBTL1HTR6CYP2D6
SCHEMBL3057084 0.83 L3MBTL3 (0.41) HRH3L3MBTL3L3MBTL1HTR6CYP2D6
SCHEMBL25517456 0.83 HRH3 (0.36) HRH3L3MBTL3L3MBTL1HTR6CYP2D6
SCHEMBL346460 0.83 CYP2D6 (0.39) HRH3L3MBTL3L3MBTL1CYP2D6USP2
SCHEMBL18466006 0.83 TSHR (0.38) HRH3L3MBTL3L3MBTL1HTR6CYP2D6

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
WO-2023072301-A1 PYRAZOLO[3,4-D]PYRIMIDIN-3-ONE COMPOUND AND MEDICAL USE THEREOF 正大天晴药业集团股份有限公司 2023-05-04 — — WO disclosed
EP-2356101-B1 PYRIMIDINE- AND TRIAZINE-SULFONAMIDE DERIVATIVES AS BRADYKININ B1 RECEPTOR (B1R) INHIBITORS FOR THE TREATMENT OF PAIN GRUENENTHAL GMBH (DE) 2013-02-27 — — EP disclosed
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-2007140383-A2 SPIROCYCLIC SULFONAMIDES AND RELATED COMPOUNDS NEUROGEN CORPORATION (US) 2007-12-06 — — WO 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 HRH3 1/4885L3MBTL3 2655/4885L3MBTL1 2620/4885

“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.