SCHEMBL4161607

SCHEMBL4161607

COc1ccc(C2(CC(=O)O)CCN(C(=O)OC(C)(C)C)CC2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.47
PDE4B Q07343 4/20 0.47
PDE4C Q08493 4/20 0.47
PDE4D Q08499 4/20 0.47
TACR1 P25103 1/20 0.46
GPR119 Q8TDV5 3/20 0.44
RORC P51449 2/20 0.41
ATM Q13315 1/20 0.40
GALR2 O43603 1/20 0.40
GALR1 P47211 1/20 0.40
STS P08842 1/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.39
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
CCR5 P51681 1/20 0.38

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
SCHEMBL4542548 0.89 TACR1 (0.49) PDE4APDE4BPDE4CPDE4DTACR1
SCHEMBL4160740 0.87 TACR1 (0.48) PDE4APDE4BPDE4CPDE4DTACR1
SCHEMBL4166875 0.85 TACR1 (0.48) PDE4APDE4BPDE4CPDE4DTACR1
SCHEMBL16874615 0.84 KDM4E (0.47) PDE4APDE4BPDE4CPDE4DTACR1
SCHEMBL4159626 0.83 HSD11B1 (0.56) TACR1RORCATMALOX15TSHR
SCHEMBL4162177 0.82 ALDH1A1 (0.50) TACR1GPR119STSCCR5
SCHEMBL4551945 0.82 TACR1 (0.53) TACR1GPR119RORCATMPTGDR2
SCHEMBL31693832 0.82 TACR1 (0.53) TACR1GPR119RORCATMPTGDR2
SCHEMBL4416844 0.81 TACR1 (0.48) PDE4APDE4BPDE4CPDE4DTACR1
SCHEMBL10306289 0.80 TACR1 (0.50) TACR1GPR119ATMALOX15TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090192194-A1 Cyclic Amine Derivatives, Processes For Their Preparation, And Pharmaceutical Compositions Containing Them ALVARO GIUSEPPE 2009-07-30 US disclosed
US-20070073061-A1 Cyclic amine derivatives, processes for their preparation, and pharmaceutical compositions containing them GLAXO GROUP LIMITED (GB) 2007-03-29 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 (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-20070073061-A1 Cyclic amine derivatives, processes for their preparation, and pharmaceutical compositions containing them SLC6A4, OPRL1, HCRTR1 PDE4A 2612/4885PDE4B 2645/4885PDE4C 3397/4885
US-20090192194-A1 Cyclic Amine Derivatives, Processes For Their Preparation, And Pharmaceutical Compositions Containing Them SLC6A4, OPRL1, HCRTR1 PDE4A 2612/4885PDE4B 2645/4885PDE4C 3397/4885

“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.