SCHEMBL13136108

SCHEMBL13136108

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

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACACB O00763 5/20 0.39
MTNR1A P48039 6/20 0.39
MTNR1B P49286 6/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM1A O60341 1/20 0.38
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
ALOX15 P16050 1/20 0.35
NFKB1 P19838 1/20 0.35
PTGS2 P35354 1/20 0.35
THPO P40225 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HDAC4 P56524 4/20 0.35

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
SCHEMBL24459288 1.00 ACACB (0.39) ACACBMTNR1AMTNR1BALDH1A1KDM1A
SCHEMBL21513624 0.82 ACACB (0.37) ACACBMTNR1AMTNR1BALDH1A1KDM4E
SCHEMBL4037645 0.80 TGFBR1 (0.46) ALDH1A1KDM1AHDAC4
SCHEMBL19021857 0.80 HDAC4 (0.39) ACACBMTNR1AMTNR1BALDH1A1HDAC4
SCHEMBL21496516 0.79 MTNR1A (0.38) ACACBMTNR1AMTNR1BALDH1A1KDM4E
SCHEMBL7727355 0.79 KDM1A (0.37) ACACBALDH1A1KDM1AHDAC4
SCHEMBL21496758 0.77 HDAC4 (0.37) ACACBMTNR1AMTNR1BALDH1A1KDM4E
SCHEMBL21496760 0.77 HDAC4 (0.37) ACACBMTNR1AMTNR1BALDH1A1KDM4E
SCHEMBL21496759 0.77 TRPV1 (0.39) ACACBMTNR1AMTNR1BALDH1A1KDM4E
SCHEMBL13780653 0.77 ACACB (0.37) ACACBMTNR1AMTNR1BALDH1A1

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-20230303514-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2023-09-28 US disclosed
US-20230303514-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2023-09-28 US disclosed
WO-2022109485-A1 6,7-DIHYDRO-PYRANO[2,3-D]PYRIMIDINE INHIBITORS OF KRAS G12C MUTANT MERCK SHARP & DOHME CORP. (US) 2022-05-27 WO disclosed
EP-3889146-A1 POLYHETEROCYCLIC TLR7/8 ANTAGONISTS AND THEIR USES FOR TREATING IMMUNE DISORDERS Merck Patent GmbH (DE) 2021-10-06 EP disclosed
EP-3390389-B1 POLYCYCLIC TLR7/8 ANTAGONISTS AND USE THEREOF IN THE TREATMENT OF IMMUNE DISORDERS MERCK PATENT GMBH (DE) 2021-05-19 EP disclosed
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 US 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-7517875-B2 Piperidine derivatives having CCR3 antagonism TEIJIN LIMITED (JP) 2009-04-14 US disclosed
US-7517875-B2 Piperidine derivatives having CCR3 antagonism TEIJIN LIMITED (JP) 2009-04-14 US disclosed
US-20070275965-A1 CXCR4 modulators CHEMOCENTRYX, INC. (US) 2007-11-29 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 (4 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-20230303514-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 ACACB 4168/4885MTNR1A 219/4885MTNR1B 302/4885
US-20070275965-A1 CXCR4 modulators CXCL12, CXCR4, CXCR1 ACACB 1226/4885MTNR1A 1079/4885MTNR1B 833/4885
US-20170174653-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 ACACB 4258/4885MTNR1A 155/4885MTNR1B 234/4885
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 ACACB 1371/4885MTNR1A 710/4885MTNR1B 427/4885

“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.