SCHEMBL959849

SCHEMBL959849

COC1(OC)CCN(C(=O)OCc2ccccc2)CC1OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
CYP2C19 P33261 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KDM1A O60341 3/20 0.47
PDE4B Q07343 1/20 0.46
HTT P42858 1/20 0.46
MMP1 P03956 1/20 0.43
MMP3 P08254 1/20 0.43
MMP7 P09237 1/20 0.43
MMP9 P14780 1/20 0.43
MMP13 P45452 1/20 0.43
HTR2C P28335 2/20 0.43
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
SCN5A Q14524 1/20 0.41
SCN9A Q15858 1/20 0.41

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
SCHEMBL9721852 0.94 L3MBTL1 (0.47) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL2706511 0.89 OPRD1 (0.40) SMN1; SMN2NPC1RAB9ACYP2C19KDM1A
SCHEMBL27029228 0.88 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL2705541 0.88 JAK2 (0.45) MEN1KMT2AOPRD1OPRK1
SCHEMBL961769 0.86 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL7115377 0.85 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL964443 0.83 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL17801576 0.80 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL2592306 0.77 MEN1 (0.59) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL21370881 0.77 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9ACYP2C19MEN1

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-20110015181-A1 ALKYLAMINOPYRIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-01-20 US disclosed
EP-2264026-A1 ALKYLAMINOPYRIDINE DERIVATIVE Banyu Pharmaceutical Co., Ltd. (JP) 2010-12-22 EP 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-20110015181-A1 ALKYLAMINOPYRIDINE DERIVATIVE NPY4R, NPY1R, NPY2R SMN1; SMN2 3341/4885NPC1 2148/4885RAB9A 4532/4885

“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.