SCHEMBL4158729

SCHEMBL4158729

O=C(O)N1CCN(Cc2ccc(O)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.60
CA2 P00918 1/20 0.60
CA9 Q16790 1/20 0.60
HRH3 Q9Y5N1 2/20 0.56
DRD4 P21917 1/20 0.54
ALDH1A1 P00352 4/20 0.53
LMNA P02545 3/20 0.53
KMT2A Q03164 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
KDM4E B2RXH2 1/20 0.51
FAAH O00519 1/20 0.50
HPGD P15428 1/20 0.50
HTT P42858 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
MEN1 O00255 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL31277423 0.86 HRH3 (0.56) HRH3ALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL2931705 0.86 AKR1C3 (0.65) HRH3DRD4ALDH1A1LMNAKMT2A
SCHEMBL22346647 0.86 HRH3 (0.56) HRH3ALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL2850013 0.85 ALDH1A1 (0.70) ALDH1A1LMNAKMT2ASMN1; SMN2KDM4E
SCHEMBL5428090 0.84 DRD4 (0.63) CA12CA2CA9HRH3DRD4
SCHEMBL3617972 0.84 ALDH1A1 (0.68) HRH3ALDH1A1LMNAKMT2AKDM4E
SCHEMBL321890 0.84 HRH3 (0.78) CA12CA2CA9HRH3ALDH1A1
SCHEMBL21391900 0.84 FAAH (0.65) FAAH
SCHEMBL15264421 0.84 LMNA (0.68) HRH3ALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL16673821 0.84 FAAH (0.65) HRH3ALDH1A1LMNAKMT2ASMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015086693-A1 PYRAZOLOPYRIMIDIN-2-YL DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2015-06-18 WO disclosed
US-20090118282-A1 Compounds and methods for treatment of amyloid-beta-peptide related disorders EXONHIT THERAPEUTICS SA (FR) 2009-05-07 US disclosed
EP-1910334-A2 COMPOUNDS AND METHODS FOR TREATMENT OF AMYLOID-BETA-PEPTIDE RELATED DISORDERS Exonhit Therapeutics SA (FR) 2008-04-16 EP disclosed
WO-2007034329-A2 COMPOUNDS AND METHODS FOR TREATMENT OF AMYLOID-BETA-PEPTIDE RELATED DISORDERS EXONHIT THERAPEUTICS SA (FR) 2007-03-29 WO disclosed
EP-1746092-A1 Compounds and methods for treatment of amyloid-B-peptide related disorders Exonhit Therapeutics SA (FR) 2007-01-24 EP 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-20090118282-A1 Compounds and methods for treatment of amyloid-beta-peptide related disorders APP, BACE1, IAPP CA12 1452/4885CA2 800/4885CA9 2428/4885

“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.