SCHEMBL5226029

SCHEMBL5226029

CC#Cc1coc2ccc(C(=O)OC)cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 2/20 0.52
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
GSK3B P49841 1/20 0.44
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
XDH P47989 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
ALDH1A1 P00352 5/20 0.40
HPGD P15428 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
GLA P06280 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
NPC1 O15118 3/20 0.40
KMT2A Q03164 2/20 0.40
RAB9A P51151 1/20 0.40
CREBBP Q92793 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
SCHEMBL6479442 0.84 NQO2 (0.53) NQO2MTNR1AMTNR1BGSK3BCA12
SCHEMBL5226683 0.84 GSK3B (0.40) MTNR1BGSK3BALDH1A1HPGDL3MBTL1
SCHEMBL5226482 0.78 NQO2 (0.58) NQO2MTNR1AMTNR1BGSK3BCA12
SCHEMBL3494354 0.77 NQO2 (0.56) NQO2MTNR1AMTNR1BGSK3BCA12
SCHEMBL19740390 0.77 NQO2 (0.56) NQO2MTNR1AMTNR1BGSK3BCA12
SCHEMBL12365259 0.75 GSK3B (0.61) NQO2MTNR1AMTNR1BGSK3BALDH1A1
SCHEMBL5228133 0.74 NQO2 (0.54) NQO2MTNR1AMTNR1BGSK3BCA12
SCHEMBL17858575 0.73 NQO2 (0.53) NQO2MTNR1AMTNR1BGSK3BCA12
SCHEMBL68516 0.72 CA1 (0.53) NQO2CA12CA1CA2CA7
SCHEMBL18439922 0.72 KDM4E (0.58) CA12CA1CA2CA7XDH

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-1425286-B1 SUBSTITUTED 7-AZA-[2.2.1]BICYCLOHEPTANES FOR THE TREATMENT OF DISEASES PHARMACIA & UPJOHN CO LLC (US) 2007-02-28 EP disclosed
US-6894042-B2 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY (US) 2005-05-17 US disclosed
EP-1476448-A2 AZABICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-11-17 EP disclosed
US-20040224976-A1 Azabicyclic compounds for the treatment of disease WALKER DANIEL PATRICK (US) 2004-11-11 US disclosed
EP-1425286-A1 SUBSTITUTED 7-AZA[2.2.1]BICYCLOHEPTANES FOR THE TREATMENT OF DISEASES PHARMACIA & UPJOHN COMPANY (US) 2004-06-09 EP disclosed
US-20030232853-A1 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-18 US disclosed
WO-2003070731-A2 AZABICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2003-08-28 WO disclosed
US-20030105089-A1 Substituted 7-aza[2.2.1]bicycloheptanes for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-06-05 US disclosed
WO-2003022856-A1 SUBSTITUTED 7-AZA[2.2.1] BICYCLOHEPTANES FOR THE TREATMENT OF DISEASES PHARMACIA & UPJOHN COMPANY (US) 2003-03-20 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 (3 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-20030232853-A1 Azabicyclic compounds for the treatment of disease TPMT, MALT1, AZI2 NQO2 259/4885MTNR1A 1973/4885MTNR1B 1088/4885
US-20030105089-A1 Substituted 7-aza[2.2.1]bicycloheptanes for the treatment of disease CHRNA7, CHRNA1, CHRNA6 NQO2 441/4885MTNR1A 229/4885MTNR1B 216/4885
US-20040224976-A1 Azabicyclic compounds for the treatment of disease TPMT, MALT1, AZI2 NQO2 259/4885MTNR1A 1973/4885MTNR1B 1088/4885

“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.