SCHEMBL20850658

SCHEMBL20850658

CC(C)NCCCN1CCN(CCC(C)NCCCn2ccnc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 7/20 0.47
FPR3 P25089 1/20 0.43
FPR2 P25090 1/20 0.43
LMNA P02545 1/20 0.41
TBXAS1 P24557 4/20 0.41
ACHE P22303 1/20 0.40
ALOX15 P16050 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
CYP19A1 P11511 1/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL10240737 0.84 QPCT (0.61) QPCTLMNATBXAS1ALOX15CYP1A2
SCHEMBL16589334 0.79 TBXAS1 (0.60) QPCTTBXAS1ALOX15CYP1A2CYP3A4
SCHEMBL23718100 0.76 TBXAS1 (0.62) QPCTLMNATBXAS1CYP1A2CYP3A4
SCHEMBL278416 0.74 QPCT (0.53) QPCTTBXAS1ALOX15CYP1A2CYP3A4
SCHEMBL28984365 0.72 SMN1; SMN2 (0.48) LMNAALDH1A1
SCHEMBL25480275 0.71 TP53 (0.46) FPR3FPR2LMNA
SCHEMBL11840998 0.70 TBXAS1 (0.47) QPCTTBXAS1ALOX15CYP1A2CYP3A4
SCHEMBL7739959 0.70 ACHE (0.64) QPCTFPR3FPR2TBXAS1ACHE
SCHEMBL19596990 0.70 ACHE (0.64) QPCTFPR3FPR2TBXAS1ACHE
SCHEMBL22180878 0.70 ACHE (0.53) QPCTFPR3FPR2LMNATBXAS1

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-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

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 QPCT 2454/4885FPR3 212/4885FPR2 126/4885
US-10662177-B2 Blocking toll-like receptor 9 signaling with small molecule antagonist TLR9, TLR1, TLR3 QPCT 2389/4885FPR3 229/4885FPR2 124/4885

“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.