SCHEMBL6482397

SCHEMBL6482397

O=C(CCC(=O)ON1CCN(c2ccccc2)CC1)ON1CCN(c2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.54
LMNA P02545 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
HTR1A P08908 2/20 0.50
HTR7 P34969 2/20 0.50
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
ALDH1A1 P00352 4/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
USP2 O75604 2/20 0.49
TSHR P16473 2/20 0.49
GRM5 P41594 1/20 0.47
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
AKR1C3 P42330 1/20 0.46
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL6482401 0.95 MAPT (0.50) MAPTLMNANPSR1HTR1AHTR7
SCHEMBL10670677 0.84 MAPT (0.46) MAPTLMNANPSR1SMN1; SMN2ALDH1A1
SCHEMBL21553853 0.81 ALDH1A1 (0.50) MAPTLMNANPSR1ALDH1A1MEN1
SCHEMBL10860851 0.79 ALDH1A1 (0.57) MAPTLMNANPSR1HTR1AHTR7
SCHEMBL8635829 0.77 MAPT (0.57) MAPTLMNAHTR1ANPC1RAB9A
SCHEMBL5175516 0.77 HTR1A (0.49) LMNAHTR1AHTR7ALDH1A1CYP2C9
SCHEMBL27979649 0.77 TDP1 (0.59) NPC1SMN1; SMN2ALDH1A1KMT2ATSHR
SCHEMBL27981599 0.77 GPR119 (0.49) MAPTLMNANPSR1SMN1; SMN2ALDH1A1
SCHEMBL4107060 0.77 TSHR (0.36) LMNAALDH1A1TSHR
SCHEMBL8634727 0.77 HRH3 (0.55) MAPTLMNAHTR1ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6872850-B2 Small molecule inhibitors of secretion of proteins encoded by ARE-mRNAs MESSAGE PHARMACEUTICALS (US) 2005-03-29 US disclosed
WO-2002083842-A9 SMALL MOLECULE INHIBITORS OF SECRETION OF PROTEINS ENCODED BY ARE-MRNAS MESSAGE PHARMACEUTICALS INC (US) 2004-04-29 WO disclosed
US-20030199453-A1 Small molecule inhibitors of secretion of proteins encoded by ARE-mRNAs S. R. ONE, LIMITED 2003-10-23 US disclosed
WO-2002083842-A2 SMALL MOLECULE INHIBITORS OF SECRETION OF PROTEINS ENCODED BY ARE-MRNAS MESSAGE PHARMACEUTICALS, INC. (US) 2002-10-24 WO 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-20030199453-A1 Small molecule inhibitors of secretion of proteins encoded by ARE-mRNAs ASF1A, IGF2BP1, SERBP1 MAPT 3875/4885LMNA 3268/4885NPSR1 2679/4885

“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.