SCHEMBL7727355

SCHEMBL7727355

CC(CN(C)C)NC(=O)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.37
CNR2 P34972 1/20 0.36
C5AR1 P21730 1/20 0.34
HDAC4 P56524 9/20 0.34
ACACB O00763 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HDAC1 Q13547 1/20 0.32
GAA P10253 1/20 0.31
POLR1A O95602 1/20 0.31
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL23893082 0.81 GAA (0.35) KDM1AHDAC4GAA
SCHEMBL24459288 0.79 ACACB (0.39) KDM1AHDAC4ACACBALDH1A1
SCHEMBL13136108 0.79 ACACB (0.39) KDM1AHDAC4ACACBALDH1A1
SCHEMBL24368975 0.78 HDAC4 (0.36) CNR2HDAC4
SCHEMBL25099307 0.78 HDAC4 (0.36) CNR2HDAC4
SCHEMBL14521521 0.78 CNR2 (0.41) CNR2HDAC4ACACBHDAC1HDAC6
SCHEMBL17152163 0.77 SCN9A (0.44)
SCHEMBL22387540 0.75 ACACB (0.37) CNR2ACACBALDH1A1
SCHEMBL12413643 0.75 CNR2 (0.36) CNR2HDAC4ALDH1A1HDAC1HDAC6
SCHEMBL14521594 0.75 HDAC4 (0.40) CNR2HDAC4ACACBALDH1A1HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10947213-B1 TLR7/8 antagonists and uses thereof MERCK PATENT GMBH (DE) 2021-03-16 US disclosed
US-20200316051-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2020-10-08 US disclosed
US-10544122-B2 TLR7/8 antagonists and uses thereof MERCK PATENT GMBH (DE) 2020-01-28 US disclosed
US-20190330183-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-10-31 US disclosed
US-10258603-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-04-16 US disclosed
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 US disclosed
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 US disclosed
WO-2017106607-A1 POLYCYCLIC TLR7/8 ANTAGONISTS AND USE THEREOF IN THE TREATMENT OF IMMUNE DISORDERS MERCK PATENT GMBH (DE) 2017-06-22 WO disclosed
US-20170174653-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-06-22 US disclosed
US-7807704-B2 Bicyclic, nitrogen-containing compounds modulating CXCR4 and/or CCXCKR2 CHEMOCENTRYX, INC. (US) 2010-10-05 US disclosed
US-7671069-B2 Tricyclic, heteroaromatic compounds modulating CXCR4 and/ or CXCR7 CHEMOCENTRYX, INC. (US) 2010-03-02 US disclosed
US-6875765-B2 Arylsulfonamide ethers, and methods of use thereof WARNER-LAMBERT COMPANY (US) 2005-04-05 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 (7 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-20190330183-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 KDM1A 856/4885CNR2 946/4885C5AR1 1023/4885
US-20200316051-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 KDM1A 2861/4885CNR2 605/4885C5AR1 1970/4885
US-10947213-B1 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 KDM1A 856/4885CNR2 946/4885C5AR1 1023/4885
US-10544122-B2 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 KDM1A 856/4885CNR2 946/4885C5AR1 1023/4885
US-20170174653-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 KDM1A 1004/4885CNR2 569/4885C5AR1 808/4885
US-10258603-B2 Therapeutic compounds and uses thereof BRD4, BRDT, BRD3 KDM1A 143/4885CNR2 213/4885C5AR1 2110/4885
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 KDM1A 143/4885CNR2 213/4885C5AR1 2110/4885

“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.