SCHEMBL19385373

SCHEMBL19385373

COc1cc2c(N3CCN(Cc4ccccc4)CC3)nc(N3CCCC3)nc2cc1OCCCN(C)C

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 3/20 0.70
TLR7 Q9NYK1 3/20 0.70
EHMT2 Q96KQ7 14/20 0.66
ACHE P22303 1/20 0.57
BACE1 P56817 1/20 0.57
SPIN4 Q56A73 1/20 0.55
SPIN3 Q5JUX0 1/20 0.55
SPIN2B Q9BPZ2 1/20 0.55
SPIN1 Q9Y657 1/20 0.55
EHMT1 Q9H9B1 2/20 0.53
NPC1 O15118 1/20 0.51
KDM1A O60341 1/20 0.51
NSD2 O96028 1/20 0.51
MTOR P42345 1/20 0.51
RAB9A P51151 1/20 0.51
NSD3 Q9BZ95 1/20 0.51

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
SCHEMBL19385108 0.88 TLR7 (0.75) TLR9TLR7EHMT2SPIN1EHMT1
SCHEMBL19385024 0.84 TLR7 (0.70) TLR9TLR7EHMT2SPIN4SPIN3
SCHEMBL19385261 0.83 TLR7 (0.65) TLR9TLR7EHMT2SPIN4SPIN3
SCHEMBL19385172 0.82 TLR7 (1.00) TLR9TLR7ACHEBACE1SPIN1
SCHEMBL20850660 0.82 DNMT3A (0.62) TLR9TLR7EHMT2ACHEBACE1
SCHEMBL15597304 0.80 EHMT2 (0.94) EHMT2EHMT1NPC1KDM1ANSD2
SCHEMBL25222697 0.80 ADRA1D (0.58) TLR9TLR7EHMT2SPIN4SPIN3
SCHEMBL20286626 0.79 EHMT2 (0.83) EHMT2EHMT1NPC1KDM1ANSD2
SCHEMBL19405140 0.78 TLR9 (0.64) TLR9TLR7EHMT2EHMT1KDM1A
SCHEMBL25204359 0.78 EHMT2 (0.59) TLR9TLR7EHMT2SPIN4SPIN3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3433249-B1 BLOCKING TOLL-LIKE RECEPTOR 9 SIGNALING WITH SMALL MOLECULE ANTAGONIST COUNCIL SCIENT IND RES (IN) 2022-11-09 EP disclosed
US-10662177-B2 Blocking toll-like receptor 9 signaling with small molecule antagonist COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2020-05-26 US disclosed
US-10662177-B2 Blocking toll-like receptor 9 signaling with small molecule antagonist COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2020-05-26 US disclosed
US-20190092758-A1 BLOCKING TOLL-LIKE RECEPTOR 9 SIGNALING WITH SMALL MOLECULE ANTAGONIST COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2019-03-28 US disclosed
US-20190092758-A1 BLOCKING TOLL-LIKE RECEPTOR 9 SIGNALING WITH SMALL MOLECULE ANTAGONIST COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2019-03-28 US disclosed
EP-3433249-A1 BLOCKING TOLL-LIKE RECEPTOR 9 SIGNALING WITH SMALL MOLECULE ANTAGONIST Council Of Scientific & Industrial Research (IN) 2019-01-30 EP disclosed
WO-2017163264-A1 BLOCKING TOLL-LIKE RECEPTOR 9 SIGNALING WITH SMALL MOLECULE ANTAGONIST COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2017-09-28 WO disclosed
WO-2017163264-A1 BLOCKING TOLL-LIKE RECEPTOR 9 SIGNALING WITH SMALL MOLECULE ANTAGONIST COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2017-09-28 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 (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-20190092758-A1 BLOCKING TOLL-LIKE RECEPTOR 9 SIGNALING WITH SMALL MOLECULE ANTAGONIST TLR9, TLR1, TLR3 TLR9 1/4885TLR7 5/4885EHMT2 1786/4885
US-10662177-B2 Blocking toll-like receptor 9 signaling with small molecule antagonist TLR9, TLR1, TLR3 TLR9 1/4885TLR7 4/4885EHMT2 2020/4885

“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.