SCHEMBL6536808

SCHEMBL6536808

C=CCN(CC=C)CCCCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.55
KCNH2 Q12809 2/20 0.53
SIGMAR1 Q99720 4/20 0.52
OPRM1 P35372 2/20 0.52
CHRM2 P08172 1/20 0.52
HTR1A P08908 1/20 0.52
ADRA2A P08913 1/20 0.52
CHRM1 P11229 1/20 0.52
DRD1 P21728 1/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A4 P31645 1/20 0.52
ADRA1A P35348 1/20 0.52
DRD3 P35462 1/20 0.52
SLC6A3 Q01959 1/20 0.52
OPRD1 P41143 1/20 0.46
OPRK1 P41145 1/20 0.46

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
SCHEMBL3728235 0.94 BCHE (0.59) BCHEKCNH2SIGMAR1OPRM1CHRM2
SCHEMBL3749579 0.86 OPRK1 (0.59) BCHESIGMAR1OPRM1HTR1AADRA2A
Bromide SCHEMBL10656516 0.85 OPRK1 (0.57) BCHESIGMAR1OPRM1HTR1AADRA2A
Hydrochloric Acid SCHEMBL2831864 0.85 OPRK1 (0.60) BCHESIGMAR1OPRM1HTR1AADRA2A
SCHEMBL11573309 0.82 OPRK1 (0.64) BCHESIGMAR1OPRM1HTR1AADRA2A
SCHEMBL6706300 0.82 KCNH2 (0.66) KCNH2SIGMAR1OPRM1CHRM2HTR1A
SCHEMBL7594151 0.80 TDP1 (0.53) OPRM1OPRD1OPRK1
SCHEMBL10662405 0.80 SIGMAR1 (0.69) KCNH2SIGMAR1OPRM1CHRM2HTR1A
SCHEMBL11699577 0.80 SIGMAR1 (0.69) KCNH2SIGMAR1OPRM1CHRM2HTR1A
SCHEMBL2364160 0.77 BCHE (0.49) BCHESIGMAR1OPRM1HTR1AADRA2A

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 BCHE 4414/4885KCNH2 4034/4885SIGMAR1 4657/4885
US-20030232856-A1 Methods for inhibiting immunostimulatory DNA associated responses IRF3, STING1, DNA2 BCHE 4414/4885KCNH2 4034/4885SIGMAR1 4657/4885

“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.