SCHEMBL4606142

SCHEMBL4606142

CN1CCN(c2ccccc2OCC(=O)CNc2cccc(C(=O)O)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 2/20 0.46
MITF O75030 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
PAX8 Q06710 1/20 0.46
KLF5 Q13887 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HTR1A P08908 4/20 0.45
HTR1D P28221 3/20 0.45
HTR1B P28222 3/20 0.45
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
DAPK1 P53355 1/20 0.43
PIM3 Q86V86 1/20 0.43
PPARA Q07869 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL4606307 0.90 AKR1C3 (0.48) AKR1C3NPC1RAB9AMITFNFKB1
SCHEMBL4605194 0.88 ALDH1A1 (0.50) AKR1C3NPC1RAB9AMITFNFKB1
SCHEMBL4604101 0.84 AKR1C3 (0.45) AKR1C3NPC1RAB9AHTR1AHTR1D
SCHEMBL4606040 0.80 AKR1C3 (0.46) AKR1C3NPC1RAB9ASMN1; SMN2HTR1A
SCHEMBL1307818 0.78 DRD2 (0.58) NPC1SMN1; SMN2HTR1AALDH1A1TSHR
SCHEMBL4604349 0.77 AKR1C3 (0.52) AKR1C3NPC1RAB9AMITFNFKB1
SCHEMBL4605138 0.76 L3MBTL1 (0.54) AKR1C3NPC1RAB9AMITFNFKB1
SCHEMBL4603675 0.76 AKR1C3 (0.54) AKR1C3NPC1RAB9AMITFNFKB1
SCHEMBL4604968 0.76 AKR1C3 (0.54) AKR1C3NPC1RAB9AMITFNFKB1
SCHEMBL4603654 0.76 AKR1C3 (0.48) AKR1C3NPC1RAB9AMITFNFKB1

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
EP-1720825-B1 ANTHRANILIC ACID DERIVATIVES, METHODS FOR THEIR PREPARATION AND USE AS DHODH INHIBITORS ACTIVE BIOTECH AB (SE) 2008-07-09 EP disclosed
US-7074831-B2 Compounds, methods for their preparation and use thereof ACTIVE BIOTECH AB (SE) 2006-07-11 US disclosed
US-20050187297-A1 New compounds, methods for their preparation and use thereof ACTIVE BIOTECH AB (SE) 2005-08-25 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-20050187297-A1 New compounds, methods for their preparation and use thereof MALT1, TPMT, FUCA1 AKR1C3 246/4885NPC1 2040/4885RAB9A 2143/4885

“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.