SCHEMBL7594151

SCHEMBL7594151

C=CCN(CC=C)CCCCc1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
HRH1 P35367 2/20 0.51
CYP2A6 P11509 1/20 0.50
CHRNA7 P36544 2/20 0.49
TBXAS1 P24557 7/20 0.48
HRH4 Q9H3N8 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40

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
SCHEMBL6536808 0.80 BCHE (0.55) OPRM1OPRD1OPRK1
SCHEMBL28230034 0.80 TDP1 (0.67) TDP1L3MBTL1HRH1CYP2A6CHRNA7
SCHEMBL16606321 0.79 CHRNB2 (0.56) CYP2A6CHRNA7
SCHEMBL8199625 0.79 TDP1 (0.61) TDP1L3MBTL1HRH1CYP2A6CHRNA7
SCHEMBL29485675 0.78 TDP1 (0.80) TDP1L3MBTL1HRH1CYP2A6CHRNA7
SCHEMBL724788 0.78 TDP1 (0.80) TDP1L3MBTL1HRH1CYP2A6CHRNA7
SCHEMBL11329185 0.77 CYP2A6 (0.59) TDP1L3MBTL1HRH1CYP2A6CHRNA7
SCHEMBL29485634 0.76 HRH1 (0.81) TDP1L3MBTL1HRH1CYP2A6CHRNA7
SCHEMBL2845851 0.76 HRH1 (0.81) TDP1L3MBTL1HRH1CYP2A6CHRNA7
SCHEMBL8658187 0.76 HRH1 (0.81) TDP1L3MBTL1HRH1CYP2A6CHRNA7

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-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

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-20020151564-A1 Methods for inhibiting immunostimulatory DNA associated responses IRF3, STING1, DNA2 TDP1 336/4885L3MBTL1 3426/4885HRH1 828/4885

“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.