SCHEMBL3588758

SCHEMBL3588758

CC(C)[C@@H](NC(=O)O)C(=O)NC[C@@H]1OC(=O)N(c2ccc(Oc3ccc(Cl)cc3)cc2)[C@H]1c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 2/20 0.36
LMNA P02545 2/20 0.35
KMT2A Q03164 1/20 0.35
NPY5R Q15761 1/20 0.34
P2RX3 P56373 3/20 0.34
CCR1 P32246 4/20 0.34
DRD2 P14416 1/20 0.34
GHSR Q92847 1/20 0.34
MALT1 Q9UDY8 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL13167976 0.90 MEN1 (0.41) SMN1; SMN2KMT2ACCR1
SCHEMBL15169893 0.90 P2RX3 (0.32) SMN1; SMN2KMT2ANPY5RP2RX3DRD2
SCHEMBL13167980 0.90 MEN1 (0.41) SMN1; SMN2KMT2ACCR1
SCHEMBL15181600 0.90 NPY5R (0.36) SMN1; SMN2NPY5RP2RX3DRD2GHSR
SCHEMBL3590166 0.88 MALT1 (0.37) SMN1; SMN2NPY5RP2RX3DRD2GHSR
SCHEMBL3596229 0.85 LTA4H (0.37) SMN1; SMN2KMT2ANPY5R
SCHEMBL15169894 0.83 NPY5R (0.34) NPY5RP2RX3DRD2GHSR
SCHEMBL4441137 0.82 NPY5R (0.34) NPY5RP2RX3DRD2
SCHEMBL3598382 0.82 GAA (0.36) SMN1; SMN2LMNANPY5R
SCHEMBL4441130 0.81 NPY5R (0.36) SMN1; SMN2POLBKMT2ANPY5RP2RX3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2010-09-16 US claimed
US-8431607-B2 Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2013-04-30 US disclosed
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2010-09-16 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-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH SMN1; SMN2 3746/4885POLB 4041/4885LMNA 2549/4885

“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.