SCHEMBL4863649

SCHEMBL4863649

CC[C@@H]1C(=O)Nc2ccc(F)cc2N1C(=O)c1ccc(OC)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD11B1 P28845 1/20 0.43
GAA P10253 2/20 0.42
KMT2A Q03164 1/20 0.41
MAPT P10636 2/20 0.40
MAPK1 P28482 2/20 0.40
HCRTR2 O43614 2/20 0.40
HCRTR1 O43613 1/20 0.40
CPS1 P31327 2/20 0.37
MDM2 Q00987 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ALOX15 P16050 1/20 0.37
NTSR1 P30989 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
SCHEMBL4870381 0.86 MAPK1 (0.48) SMN1; SMN2HSD11B1KMT2AMAPTMAPK1
SCHEMBL4870172 0.86 MAPK1 (0.48) SMN1; SMN2HSD11B1KMT2AMAPTMAPK1
SCHEMBL4916100 0.86 MAPK1 (0.48) SMN1; SMN2HSD11B1KMT2AMAPTMAPK1
SCHEMBL4860899 0.81 RAB9A (0.44) RAB9ANPC1SMN1; SMN2HSD11B1GAA
SCHEMBL4862053 0.80 USP2 (0.44) RAB9ANPC1SMN1; SMN2HSD11B1GAA
SCHEMBL4872188 0.78 MAPK1 (0.48) RAB9ANPC1SMN1; SMN2HSD11B1GAA
SCHEMBL4158564 0.77 KMT2A (0.48) KMT2AMAPTMAPK1
SCHEMBL4490813 0.77 HSD11B1 (0.42) RAB9ANPC1SMN1; SMN2HSD11B1GAA
SCHEMBL3856380 0.76 RAB9A (0.43) RAB9ANPC1SMN1; SMN2HSD11B1GAA
SCHEMBL4864118 0.75 KMT2A (0.48) RAB9ANPC1SMN1; SMN2HSD11B1KMT2A

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-7351709-B2 Estrogen receptor ligands WYETH (US) 2008-04-01 US disclosed
US-20060019961-A1 Estrogen receptor ligands WYETH 2006-01-26 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-20060019961-A1 Estrogen receptor ligands GPER1, ESR2, ESR1 RAB9A 3365/4885NPC1 1178/4885SMN1; SMN2 4822/4885

“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.