SCHEMBL4287041

SCHEMBL4287041

c1cc2c(cc1-c1ccc(N3CCC4(CC3)CCN(C3CCC3)CC4)nn1)OCO2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 5/20 0.39
WDR5 P61964 1/20 0.38
MAPT P10636 5/20 0.38
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 4/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HPGD P15428 1/20 0.36
LMNA P02545 2/20 0.36
OGA O60502 1/20 0.36
ACHE P22303 1/20 0.36
DYRK3 O43781 1/20 0.36
PIM1 P11309 1/20 0.36
DYRK1A Q13627 1/20 0.36
DYRK2 Q92630 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NFKB1 P19838 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
SCHEMBL4288437 0.94 ALDH1A1 (0.39) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL181094 0.88 CHRM4 (0.44) CHRM4WDR5MAPTRAB9ANPC1
Hydrochloric Acid SCHEMBL181795 0.87 CHRM4 (0.43) CHRM4WDR5MAPTRAB9ANPC1
SCHEMBL4137768 0.82 SCD (0.41) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL4130923 0.82 LMNA (0.44) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL4935984 0.82 CNR2 (0.38) MAPTLMNA
SCHEMBL1744081 0.81 MAPT (0.41) CHRM4MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL4131240 0.81 HRH3 (0.44) MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL4282407 0.80 MAPT (0.47) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL4288681 0.80 SCD (0.50) MAPTRAB9ANPC1MEN1KMT2A

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 CHRM4 476/4885WDR5 1151/4885MAPT 1220/4885

“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.