SCHEMBL6536337

SCHEMBL6536337

C=CCN(CC=C)CCCCc1cccc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 2/20 0.47
ATM Q13315 1/20 0.47
SIGMAR1 Q99720 3/20 0.47
HTR1A P08908 1/20 0.47
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
SLC6A2 P23975 1/20 0.47
HTR1D P28221 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR1E P28566 1/20 0.47
SLC6A4 P31645 1/20 0.47
ADRA1A P35348 1/20 0.47
HRH1 P35367 1/20 0.47
ADRA1B P35368 1/20 0.47
DRD3 P35462 1/20 0.47
OPRK1 P41145 1/20 0.47

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
SCHEMBL18320650 0.89 OPRK1 (0.57) ALDH1A1KDM4EHPGDATMSIGMAR1
SCHEMBL18589310 0.80 CYP2D6 (0.56) ALDH1A1KDM4EHPGDATMSIGMAR1
SCHEMBL9403712 0.79 TLR8 (0.45) ALDH1A1HPGDSIGMAR1SLC6A2SLC6A4
SCHEMBL9800436 0.78 CYP1A2 (0.58) SIGMAR1SLC6A2SLC6A4CYP1A2CYP2C19
SCHEMBL9160073 0.78 TLR8 (0.44) ALDH1A1HPGDSIGMAR1SLC6A2SLC6A4
SCHEMBL6028071 0.77 TLR8 (0.50) SIGMAR1CYP1A2CYP2C19CYP2D6GPR84
Hydrochloric Acid SCHEMBL25415558 0.77 CDYL (0.54) KDM4ESIGMAR1SLC6A2HTR1DSLC6A4
Hydrochloric Acid SCHEMBL25412958 0.77 CDYL (0.54) KDM4ESIGMAR1SLC6A2HTR1DSLC6A4
Water SCHEMBL11572069 0.77 CDYL (0.54) KDM4ESIGMAR1SLC6A2HTR1DSLC6A4
Hydrochloric Acid SCHEMBL25414849 0.77 CDYL (0.54) KDM4ESIGMAR1SLC6A2HTR1DSLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1009440-A4 METHOD FOR INHIBITING IMMUNOSTIMULATORY DNA ASSOCIATED RESPONSES MACFARLANE DONALD E (US) 2004-03-17 EP claimed
US-20030232856-A1 Methods for inhibiting immunostimulatory DNA associated responses MACFARLANE DONALD E (US) 2003-12-18 US claimed
US-20020151564-A1 Methods for inhibiting immunostimulatory DNA associated responses UNIVERSITY OF IOWA RESEARCH FOUNDATION 2002-10-17 US claimed
US-6399630-B1 2-ALKOXY-6-HALO-9-AMINOACRIDINES; BLOCKING ANTI-APOPTOTIC EFFECT OF CPG-ODN AND CPG-ODN-INDUCED SECRETION OF IL-6; HIGHLY SPECIFIC; AUTOIMMUNE DISEASE, ARTHRITIS, LUPUS, INFLAMMATORY BOWEL DISEASE UNIVERSITY OF IOWA RESEARCH FOUNDATION 2002-06-04 US claimed
EP-1009440-A1 METHOD FOR INHIBITING IMMUNOSTIMULATORY DNA ASSOCIATED RESPONSES UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2000-06-21 EP claimed
WO-1999001154-A1 METHOD FOR INHIBITING IMMUNOSTIMULATORY DNA ASSOCIATED RESPONSES UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 1999-01-14 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20020151564-A1 Methods for inhibiting immunostimulatory DNA associated responses IRF3, STING1, DNA2 ALDH1A1 2489/4885KDM4E 1044/4885HPGD 1727/4885
US-20030232856-A1 Methods for inhibiting immunostimulatory DNA associated responses IRF3, STING1, DNA2 ALDH1A1 2489/4885KDM4E 1044/4885HPGD 1727/4885

“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.