SCHEMBL3074847

SCHEMBL3074847

COCCCOc1cccc(COC2CN(C(=O)OC(C)(C)C)CCC2c2ccc(OCCCOc3ccccc3)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.47
YAP1 P46937 3/20 0.44
TACR1 P25103 1/20 0.42
REN P00797 4/20 0.41
GPR119 Q8TDV5 5/20 0.41
PRMT5 O14744 2/20 0.41
SLC2A1 P11166 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 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
SCHEMBL3074845 0.97 REN (0.46) PDE4BYAP1TACR1RENPRMT5
SCHEMBL7080920 0.86 REN (0.55) PDE4BYAP1TACR1RENPRMT5
SCHEMBL3083196 0.84 REN (0.43) PDE4BYAP1TACR1RENPRMT5
SCHEMBL3077432 0.83 REN (0.50) PDE4BREN
SCHEMBL3076630 0.82 REN (0.47) PDE4BREN
SCHEMBL3083111 0.82 REN (0.51) PDE4BREN
SCHEMBL3073916 0.82 REN (0.51) PDE4BREN
SCHEMBL3065615 0.82 REN (0.51) PDE4BREN
SCHEMBL3417019 0.82 REN (0.51) PDE4BREN
SCHEMBL6957871 0.82 REN (0.53) YAP1REN

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-7790715-B2 Organic compounds NOVARTIS AG (CH) 2010-09-07 US disclosed
US-20070010511-A1 Organic compounds NOVARTIS PHARMA AG (CH) 2007-01-11 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-20070010511-A1 Organic compounds REN, ACE, ACE2 PDE4B 312/4885YAP1 916/4885TACR1 93/4885

“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.