SCHEMBL13699114

SCHEMBL13699114

COc1cc(N)ccc1Oc1ccc(NC(=O)c2ccc(OC3CC4CCC(C3)N4C)cc2)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.45
PDE4D Q08499 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 3/20 0.44
RECQL P46063 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
GAA P10253 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 2/20 0.41
OPRK1 P41145 1/20 0.41
LMNA P02545 2/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL13699190 0.85 TAS1R3 (0.42) CYP2D6PDE4DSMN1; SMN2MAPTRECQL
SCHEMBL4236608 0.83 FGFR1 (0.46) PDE4DSMN1; SMN2MAPTRECQLCYP1A2
SCHEMBL4229369 0.79 CYP1A2 (0.40) PDE4DSMN1; SMN2MAPTRECQLCYP1A2
SCHEMBL4237656 0.78 HTR4 (0.44) PDE4DCYP1A2CYP3A4CYP2C19KMT2A
SCHEMBL13699126 0.77 CYP2D6 (0.48) CYP2D6KMT2AOPRK1
SCHEMBL13699326 0.76 PKM (0.42) SMN1; SMN2MAPTCYP3A4GAANPC1
SCHEMBL18361292 0.76 HDAC1 (0.57) OPRK1MAPK1
Hydrochloric Acid SCHEMBL20592181 0.75 HDAC1 (0.56) OPRK1MAPK1
SCHEMBL13699270 0.74 PKM (0.44) MAPTCYP3A4NPC1RAB9AKMT2A
SCHEMBL4371223 0.74 HTR4 (0.45) PDE4DKMT2AMEN1

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-20090233910-A1 Npy antagonists, preparation and uses CEREP (FR) 2009-09-17 US disclosed
US-20090233910-A1 Npy antagonists, preparation and uses CEREP (FR) 2009-09-17 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-20090233910-A1 Npy antagonists, preparation and uses NPY1R, NPY5R, NPY2R CYP2D6 1331/4885PDE4D 382/4885SMN1; SMN2 1538/4885

“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.