SCHEMBL11532602

SCHEMBL11532602

CCN(CC)c1ccc(CNC)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.56
PANK3 Q9H999 1/20 0.53
ALDH1A1 P00352 6/20 0.51
MAPT P10636 3/20 0.51
LMNA P02545 2/20 0.51
MAPK1 P28482 4/20 0.50
GFER P55789 4/20 0.50
RECQL P46063 2/20 0.50
CYP3A4 P08684 2/20 0.50
PSMD14 O00487 1/20 0.50
TSHR P16473 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KDM4E B2RXH2 3/20 0.49
NPC1 O15118 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
LOXL2 Q9Y4K0 1/20 0.47
ALDH3A1 P30838 1/20 0.47
ALDH1A3 P47895 1/20 0.47
MEN1 O00255 3/20 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
SCHEMBL11529383 0.83 LOXL2 (0.44) CNR2PANK3ALDH1A1MAPTLMNA
SCHEMBL1655689 0.81 ALDH1A1 (0.60) CNR2PANK3ALDH1A1MAPTLMNA
SCHEMBL11044474 0.81 LMNA (0.68) CNR2PANK3ALDH1A1MAPTLMNA
SCHEMBL11528386 0.81 LMNA (0.58) CNR2PANK3ALDH1A1MAPTLMNA
Hydrochloric Acid SCHEMBL6759854 0.79 CNR2 (0.53) CNR2PANK3ALDH1A1MAPTLMNA
SCHEMBL13359832 0.79 LMNA (0.57) CNR2PANK3ALDH1A1MAPTLMNA
SCHEMBL2504209 0.78 KDM4E (0.68) MAPTCYP3A4KDM4ELOXL2MMP8
SCHEMBL1735497 0.78 ALDH1A1 (0.74) CNR2ALDH1A1MAPTLMNAMAPK1
SCHEMBL11529218 0.78 LMNA (0.64) CNR2PANK3ALDH1A1MAPTLMNA
SCHEMBL3047826 0.77 CNR2 (0.73) CNR2PANK3ALDH1A1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11168084-B2 Purine based compounds as toll-like receptor 9 antagonist COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2021-11-09 US disclosed
EP-3707140-B1 PURINE BASED COMPOUNDS AS TOLL-LIKE RECEPTOR 9 ANTAGONISTS COUNCIL SCIENT IND RES (IN) 2021-10-13 EP disclosed
US-20200347062-A1 PURINE BASED COMPOUNDS AS TOLL-LIKE RECEPTOR 9 ANTAGONIST COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2020-11-05 US disclosed
US-4157343-A Preparation of aromatic diamines UOP INC. (US) 1979-06-05 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 (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-11168084-B2 Purine based compounds as toll-like receptor 9 antagonist TLR9, TLR1, TLR7 CNR2 319/4885PANK3 335/4885ALDH1A1 2973/4885
US-20200347062-A1 PURINE BASED COMPOUNDS AS TOLL-LIKE RECEPTOR 9 ANTAGONIST TLR9, TLR1, TLR7 CNR2 321/4885PANK3 365/4885ALDH1A1 2999/4885

“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.