SCHEMBL5379547

SCHEMBL5379547

Nc1cc(CC2CCCC2)on1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.37
RAB9A P51151 4/20 0.36
ALDH1A1 P00352 3/20 0.36
TSHR P16473 2/20 0.36
RECQL P46063 1/20 0.36
RIPK1 Q13546 1/20 0.34
NPC1 O15118 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
S1PR1 P21453 3/20 0.33
S1PR3 Q99500 3/20 0.33
XBP1 P17861 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HTR3A P46098 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
DAO P14920 1/20 0.31
TDO2 P48775 1/20 0.31
FEN1 P39748 1/20 0.31

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
SCHEMBL5992512 0.88 SCD (0.32) SCDRAB9AALDH1A1TSHRRECQL
SCHEMBL1320408 0.78 VHL (0.41) SCDRAB9ANPC1SMN1; SMN2
SCHEMBL5379544 0.77 SCD (0.46) SCDRAB9AALDH1A1TSHRRIPK1
SCHEMBL1320181 0.74 VHL (0.41) SCDALDH1A1S1PR1S1PR3
SCHEMBL14198669 0.74 SCD (0.49) SCDRAB9AALDH1A1TSHRRIPK1
SCHEMBL5782512 0.72 RAB9A (0.37) RAB9AALDH1A1TSHRRECQLNPC1
SCHEMBL1979609 0.67
SCHEMBL5783147 0.67
SCHEMBL1012620 0.67 S1PR3 (0.46) RAB9ANPC1S1PR1S1PR3TDO2
SCHEMBL5786695 0.67 HRH3 (0.51) RAB9AALDH1A1NPC1SMN1; 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7241786-B2 Isoxazole and isothiazole compounds for the treatment of neurodegenerative disorders PFIZER INC (US) 2007-07-10 US claimed
US-7220865-B2 Isoxazole-and isothiazole-amine compounds for the treatment of neurodegenerative disorders PFIZER INC (US) 2007-05-22 US claimed
EP-1735288-A1 ISOXAZOLE- AND ISOTHIAZOLE-AMINE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Incorporated (US) 2006-12-27 EP claimed
EP-1636220-A1 ISOXAZOLE AND ISOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2006-03-22 EP claimed
WO-2005095361-A1 ISOXAZOLE- AND ISOTHIAZOLE-AMINE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS INC. (US) 2005-10-13 WO claimed
US-20050222149-A1 Isoxazole-and isothiazole-amine compounds for the treatment of neurodegenerative disorders PFIZER INC 2005-10-06 US claimed
WO-2004099200-A1 ISOXAZOLE AND ISOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS INC. (US) 2004-11-18 WO claimed
US-7241786-B2 Isoxazole and isothiazole compounds for the treatment of neurodegenerative disorders PFIZER INC (US) 2007-07-10 US disclosed
US-7220865-B2 Isoxazole-and isothiazole-amine compounds for the treatment of neurodegenerative disorders PFIZER INC (US) 2007-05-22 US disclosed
EP-1735288-A1 ISOXAZOLE- AND ISOTHIAZOLE-AMINE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Incorporated (US) 2006-12-27 EP disclosed
EP-1636220-A1 ISOXAZOLE AND ISOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2006-03-22 EP disclosed
WO-2005095361-A1 ISOXAZOLE- AND ISOTHIAZOLE-AMINE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS INC. (US) 2005-10-13 WO disclosed
US-20050222149-A1 Isoxazole-and isothiazole-amine compounds for the treatment of neurodegenerative disorders PFIZER INC 2005-10-06 US disclosed
US-20040242666-A1 Isoxazole and isothiazole compounds for the treatment of neurodegenerative disorders PFIZER, INC. 2004-12-02 US disclosed
WO-2004099200-A1 ISOXAZOLE AND ISOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS INC. (US) 2004-11-18 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 (2 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-20040242666-A1 Isoxazole and isothiazole compounds for the treatment of neurodegenerative disorders NPY1R, PARK7, IAPP SCD 4791/4885RAB9A 568/4885ALDH1A1 1694/4885
US-20050222149-A1 Isoxazole-and isothiazole-amine compounds for the treatment of neurodegenerative disorders NPY1R, PSEN1, APP SCD 4772/4885RAB9A 1449/4885ALDH1A1 1340/4885

“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.