Sugi Predict

Sugi Predict / Compounds / SCHEMBL4136957

SCHEMBL4136957

SCHEMBL4136957

c1ncc(-c2ccc(N3CCC4(CC3)CCN(C3CCC3)CC4)cc2)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 9/20 0.47
▸ KDM2B Q8NHM5 2/20 0.47
▸ L3MBTL3 Q96JM7 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ FFAR4 Q5NUL3 1/20 0.41
▸ USP2 O75604 3/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CYP1A2 P05177 3/20 0.39
▸ CYP2C19 P33261 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ IRAK4 Q9NWZ3 1/20 0.38
▸ TSHR P16473 2/20 0.38
▸ CYP2D6 P10635 1/20 0.37
▸ MBTD1 Q05BQ5 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
SCHEMBL4931504 0.86 CYP3A4 (0.50) HRH3KDM2BL3MBTL3L3MBTL1FFAR4
SCHEMBL4931795 0.86 KDM2B (0.49) HRH3KDM2BL3MBTL3L3MBTL1FFAR4
SCHEMBL4139999 0.85 HRH3 (0.40) HRH3KDM2BL3MBTL3L3MBTL1KCNH2
SCHEMBL4936803 0.85 USP2 (0.47) HRH3KDM2BL3MBTL3L3MBTL1USP2
SCHEMBL4136329 0.84 HRH3 (0.42) HRH3KDM2BCYP3A4CYP2C9IRAK4
SCHEMBL4928223 0.83 HRH3 (0.40) HRH3KDM2BL3MBTL3L3MBTL1IRAK4
SCHEMBL4935121 0.83 HRH3 (0.41) HRH3KDM2BCYP3A4CYP1A2CYP2C19
SCHEMBL4280699 0.81 CHRM1 (0.44) HRH3L3MBTL3L3MBTL1USP2CYP3A4
SCHEMBL4284430 0.80 KDM2B (0.46) HRH3KDM2BFFAR4USP2CYP3A4
SCHEMBL4935040 0.79 KDM2B (0.48) HRH3KDM2BUSP2CYP3A4SMN1; SMN2

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 1/4885KDM2B 577/4885L3MBTL3 2655/4885

“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.