SCHEMBL5115597

SCHEMBL5115597

COc1cccc(N2CCN3CCCC2C3)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.41
HRH3 Q9Y5N1 2/20 0.37
ACACB O00763 1/20 0.36
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
C5AR1 P21730 1/20 0.34
OGA O60502 1/20 0.33
DGAT2 Q96PD7 1/20 0.33
UCHL1 P09936 1/20 0.33
USP30 Q70CQ3 1/20 0.33
GAA P10253 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
BACE1 P56817 1/20 0.32
BACE2 Q9Y5Z0 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRL1 P41146 1/20 0.32
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
CHRM4 P08173 1/20 0.32

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
SCHEMBL5107827 0.92 ALOX5 (0.42) ALOX5HRH3ACACBCCNA2CDK2
SCHEMBL5107733 0.92 ALOX5 (0.43) ALOX5HRH3ACACBCCNA2CDK2
Hydrochloric Acid SCHEMBL5116833 0.91 ALOX5 (0.42) ALOX5HRH3ACACBCCNA2CDK2
SCHEMBL5108503 0.90 ALOX5 (0.40) ALOX5HRH3CHRM4
SCHEMBL5116039 0.88 ALOX5 (0.46) ALOX5HRH3ACACBCCNA2CDK2
SCHEMBL6258609 0.75 HRH3 (0.40) ALOX5HRH3ACACBCCNA2CDK2
SCHEMBL5109486 0.73 KDM4E (0.39) HRH3CRBN
SCHEMBL26251506 0.70 HRH3 (0.41) ALOX5HRH3ACACBCCNA2CDK2
SCHEMBL20343479 0.69 HCRTR1 (0.47) ALOX5HRH3ACACBC5AR1OGA
SCHEMBL6529664 0.69 ALOX5 (0.51) ALOX5HRH3OGA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040106603-A1 Diazabicyclic compounds useful in the treatment of CNS and other disorders PFIZER INC 2004-06-03 US claimed
US-7442694-B2 Diazabicyclic compounds useful in the treatment of CNS and other disorders PFIZER INC (US) 2008-10-28 US disclosed
US-20040106603-A1 Diazabicyclic compounds useful in the treatment of CNS and other disorders PFIZER INC 2004-06-03 US 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-20040106603-A1 Diazabicyclic compounds useful in the treatment of CNS and other disorders DBH, CHRNA6, DDT ALOX5 1841/4885HRH3 2320/4885ACACB 241/4885

“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.