SCHEMBL962789

SCHEMBL962789

CC/C(=C\c1c(C2CC2)nn(C)c1-n1ccc2cccnc21)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.34
PARP1 P09874 1/20 0.32
SLC22A12 Q96S37 2/20 0.32
TBXAS1 P24557 2/20 0.31
ENPP1 P22413 1/20 0.31
LMNA P02545 1/20 0.31
CNR2 P34972 4/20 0.31
CNR1 P21554 3/20 0.31
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
CDC7 O00311 1/20 0.31
CDK2 P24941 1/20 0.31
PDE4B Q07343 2/20 0.30
PPARG P37231 1/20 0.30
RAPGEF4 Q8WZA2 1/20 0.30
PDE4D Q08499 1/20 0.30

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
SCHEMBL962781 1.00 MTNR1A (0.34) MTNR1APARP1SLC22A12TBXAS1ENPP1
SCHEMBL962302 0.85 PARP1 (0.38) MTNR1APARP1SLC22A12TBXAS1ENPP1
SCHEMBL962301 0.85 PARP1 (0.38) MTNR1APARP1SLC22A12TBXAS1ENPP1
SCHEMBL966634 0.83 PARP1 (0.34) MTNR1APARP1SLC22A12TBXAS1ENPP1
SCHEMBL966633 0.83 PARP1 (0.34) MTNR1APARP1SLC22A12TBXAS1ENPP1
SCHEMBL966215 0.82 MTNR1A (0.35) MTNR1APARP1SLC22A12TBXAS1ENPP1
SCHEMBL966216 0.82 MTNR1A (0.35) MTNR1APARP1SLC22A12TBXAS1ENPP1
SCHEMBL964303 0.82 ELANE (0.36) MTNR1APARP1SLC22A12TBXAS1ENPP1
SCHEMBL964302 0.82 ELANE (0.36) MTNR1APARP1SLC22A12TBXAS1ENPP1
SCHEMBL965084 0.82 CDC7 (0.36) MTNR1APARP1SLC22A12CYP2C19CDC7

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-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-01-13 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-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG MTNR1A 69/4885PARP1 1594/4885SLC22A12 2369/4885

“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.