Sugi Predict

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SCHEMBL4287909

SCHEMBL4287909

Cn1cc(-c2ccc(N3CCC4(CCN(C5CCC5)CC4)C3)cc2)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 5/20 0.45
▸ WNT1 P04628 5/20 0.41
▸ GSK3B P49841 5/20 0.41
▸ DYRK1A Q13627 5/20 0.41
▸ RET P07949 1/20 0.40
▸ MET P08581 1/20 0.40
▸ PDE3B Q13370 1/20 0.40
▸ PDE3A Q14432 1/20 0.40
▸ TTK P33981 1/20 0.40
▸ HRH3 Q9Y5N1 2/20 0.39
▸ LRRK2 Q5S007 2/20 0.39
▸ IRAK4 Q9NWZ3 1/20 0.39
▸ USP2 O75604 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ MEN1 O00255 1/20 0.39

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
SCHEMBL4282555 0.94 CHRM1 (0.48) CHRM1WNT1GSK3BDYRK1ARET
SCHEMBL4280699 0.93 CHRM1 (0.44) CHRM1WNT1GSK3BDYRK1ARET
SCHEMBL4294003 0.80 USP2 (0.46) CHRM1WNT1GSK3BDYRK1AHRH3
SCHEMBL4935040 0.79 KDM2B (0.48) HRH3IRAK4USP2ALDH1A1CYP1A2
SCHEMBL4287899 0.76 HRH3 (0.43) CHRM1HRH3USP2ALDH1A1CYP1A2
SCHEMBL4130404 0.76 L3MBTL3 (0.44) HRH3USP2ALDH1A1CYP1A2HPGD
SCHEMBL4134870 0.75 SCD (0.53) —
SCHEMBL4136957 0.74 HRH3 (0.47) HRH3IRAK4USP2ALDH1A1CYP1A2
SCHEMBL4931504 0.74 CYP3A4 (0.50) HRH3USP2CYP1A2CYP2C19SMN1; SMN2
SCHEMBL4935016 0.73 TLR4 (0.49) HRH3USP2ALDH1A1CYP1A2HPGD

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 CHRM1 166/4885WNT1 4260/4885GSK3B 2641/4885

“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.