SCHEMBL3028826

SCHEMBL3028826

Cc1ccc2c(c1)C1CN(C(=O)OC(C)(C)C)CC1OC2

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 7/20 0.42
RORC P51449 1/20 0.41
GPR119 Q8TDV5 2/20 0.40
MC4R P32245 1/20 0.40
NAMPT P43490 1/20 0.39
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ESR2 Q92731 1/20 0.38
NR1H2 P55055 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
TACR1 P25103 1/20 0.36

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
SCHEMBL3028828 1.00 PDE4B (0.42) PDE4BRORCGPR119MC4RNAMPT
SCHEMBL3018633 0.89 ESR2 (0.48) PDE4BRORCNAMPTDDB1CRBN
SCHEMBL3018630 0.89 ESR2 (0.48) PDE4BRORCNAMPTDDB1CRBN
SCHEMBL3024746 0.89 ESR2 (0.48) PDE4BRORCNAMPTDDB1CRBN
SCHEMBL3020607 0.82 ESR2 (0.48) PDE4BRORCNAMPTKDM4EESR2
SCHEMBL3020609 0.82 ESR2 (0.48) PDE4BRORCNAMPTKDM4EESR2
SCHEMBL3032651 0.81 RORC (0.42) PDE4BRORCGPR119NAMPTDDB1
SCHEMBL3032654 0.81 RORC (0.42) PDE4BRORCGPR119NAMPTDDB1
SCHEMBL3018324 0.78 PDE4B (0.41) PDE4BRORCNAMPTKDM4EESR2
SCHEMBL3018327 0.78 PDE4B (0.41) PDE4BRORCNAMPTKDM4EESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100210680-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES N.V. ORGANON 2010-08-19 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-20100210680-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES TPH1, HTR2C, TPH2 PDE4B 773/4885RORC 1536/4885GPR119 27/4885

“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.