SCHEMBL4288437

SCHEMBL4288437

c1cc2c(cc1-c1ccc(N3CCC4(CC3)CCN(C3CCC3)CC4)nn1)OCCO2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.39
MAPT P10636 7/20 0.39
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 7/20 0.36
RAB9A P51151 7/20 0.36
SMN1; SMN2 Q16637 6/20 0.36
TP53 P04637 4/20 0.36
NPSR1 Q6W5P4 3/20 0.36
LMNA P02545 3/20 0.36
HPGD P15428 3/20 0.36
HTT P42858 3/20 0.36
CNR2 P34972 1/20 0.36
POLB P06746 2/20 0.35
SCD O00767 2/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
MMP13 P45452 1/20 0.35

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
SCHEMBL4287041 0.94 CHRM4 (0.39) ALDH1A1MAPTKDM4ENPC1RAB9A
SCHEMBL1744081 0.88 MAPT (0.41) ALDH1A1MAPTKDM4ENPC1RAB9A
SCHEMBL4935984 0.82 CNR2 (0.38) MAPTLMNACNR2POLBSCD
SCHEMBL4130923 0.82 LMNA (0.44) MAPTNPC1RAB9ATP53LMNA
SCHEMBL4137768 0.82 SCD (0.41) MAPTNPC1RAB9ALMNASCD
SCHEMBL181094 0.81 CHRM4 (0.44) ALDH1A1MAPTKDM4ENPC1RAB9A
SCHEMBL4131240 0.81 HRH3 (0.44) MAPTNPC1RAB9ASMN1; SMN2SCD
Hydrochloric Acid SCHEMBL181795 0.80 CHRM4 (0.43) ALDH1A1MAPTKDM4ENPC1RAB9A
SCHEMBL4282407 0.80 MAPT (0.47) MAPTNPC1RAB9ACNR2SCD
SCHEMBL4288681 0.80 SCD (0.50) MAPTNPC1RAB9ASCDMEN1

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 ALDH1A1 734/4885MAPT 1220/4885KDM4E 1025/4885

“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.