SCHEMBL3027209

SCHEMBL3027209

CC(C)(C)OC(=O)N1CC2OCc3cc(OCc4ccccc4)ccc3C2C1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 5/20 0.47
YAP1 P46937 3/20 0.44
GRIN1 Q05586 3/20 0.42
GRIN2B Q13224 3/20 0.42
PRMT5 O14744 1/20 0.42
GPR119 Q8TDV5 3/20 0.42
RORC P51449 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
PDE4B Q07343 1/20 0.41
TACR1 P25103 1/20 0.40

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
SCHEMBL3027212 1.00 GHSR (0.47) GHSRYAP1GRIN1GRIN2BPRMT5
SCHEMBL3020609 0.82 ESR2 (0.48) RORCPDE4BTACR1
SCHEMBL3020607 0.82 ESR2 (0.48) RORCPDE4BTACR1
SCHEMBL3024958 0.82 RORC (0.43) GPR119RORCPDE4BTACR1
SCHEMBL3024960 0.82 RORC (0.43) GPR119RORCPDE4BTACR1
SCHEMBL31136414 0.79 GHSR (0.53) GHSRYAP1PRMT5
SCHEMBL2478613 0.77 GHSR (0.49) GHSRYAP1PRMT5GPR119
SCHEMBL3018337 0.77 GRIN1 (0.48) GRIN1GRIN2BCA12
SCHEMBL3018340 0.77 GRIN1 (0.48) GRIN1GRIN2BCA12
SCHEMBL3018338 0.77 GRIN1 (0.48) GRIN1GRIN2BCA12

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 GHSR 599/4885YAP1 2779/4885GRIN1 272/4885

“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.