SCHEMBL21569625

SCHEMBL21569625

CC(C)NCCNC(=O)C1CCN(C(C)(C)C)CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 3/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ TSHR P16473 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ GAA P10253 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ ITGB3 P05106 1/20 0.38
▸ ITGA2B P08514 1/20 0.38
▸ NAAA Q02083 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CYP3A4 P08684 1/20 0.37
▸ GHSR Q92847 1/20 0.37
▸ CHRM1 P11229 1/20 0.37

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
SCHEMBL20160111 0.83 HSD17B10 (0.48) HSD17B10SMN1; SMN2TSHRALDH1A1GAA
SCHEMBL13006883 0.81 KDM4E (0.51) HSD17B10SMN1; SMN2TSHRALDH1A1GAA
SCHEMBL25724173 0.81 NAAA (0.50) HSD17B10SMN1; SMN2ALDH1A1HPGDNAAA
SCHEMBL14409747 0.79 NAAA (0.57) HSD17B10SMN1; SMN2HPGDNAAAKMT2A
SCHEMBL13006890 0.79 ITGB3 (0.48) HSD17B10SMN1; SMN2ITGB3ITGA2B
SCHEMBL23430752 0.78 KMT2A (0.58) SMN1; SMN2TSHRALDH1A1GAAKDM4E
SCHEMBL20287603 0.78 THRA (0.44) HSD17B10SMN1; SMN2TSHRALDH1A1GAA
SCHEMBL12139854 0.78 HSD17B10 (0.49) HSD17B10SMN1; SMN2TSHRGAAKMT2A
SCHEMBL21569652 0.77 SMN1; SMN2 (0.64) HSD17B10SMN1; SMN2TSHRALDH1A1GAA
SCHEMBL21569666 0.75 LMNA (0.50) HSD17B10SMN1; SMN2TSHRGAAHPGD

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-11827641-B2 Toll-like receptor antagonist compounds and methods of use DYNAVAX TECHNOLOGIES CORPORATION (US) 2023-11-28 — — US disclosed
US-11827641-B2 Toll-like receptor antagonist compounds and methods of use DYNAVAX TECHNOLOGIES CORPORATION (US) 2023-11-28 — — US disclosed
US-11370794-B2 Toll-like receptor antagonist compounds and methods of use DYNAVAX TECHNOLOGIES CORPORATION (US) 2022-06-28 — — US disclosed
US-20190345161-A1 TOLL-LIKE RECEPTOR ANTAGONIST COMPOUNDS AND METHODS OF USE DYNAVAX TECHNOLOGIES CORPORATION (US) 2019-11-14 — — 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 (3 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-11827641-B2 Toll-like receptor antagonist compounds and methods of use TLR7, TLR9, TLR1 HSD17B10 3548/4885SMN1; SMN2 4050/4885TSHR 788/4885
US-20190345161-A1 TOLL-LIKE RECEPTOR ANTAGONIST COMPOUNDS AND METHODS OF USE TLR7, TLR9, TLR1 HSD17B10 3548/4885SMN1; SMN2 4050/4885TSHR 788/4885
US-11370794-B2 Toll-like receptor antagonist compounds and methods of use TLR9, TLR7, TLR8 HSD17B10 3827/4885SMN1; SMN2 3475/4885TSHR 902/4885

“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.

Send feedback