SCHEMBL19009027

SCHEMBL19009027

CC(C)N1CC[C@@H](N)C1=O

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.65
MAPT P10636 2/20 0.48
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
APEX1 P27695 1/20 0.48
PIK3CD O00329 1/20 0.33
AADAT Q8N5Z0 1/20 0.32
MAPK1 P28482 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
SCHEMBL319335 1.00 DPP4 (0.65) DPP4MAPTCYP3A4TSHRTDP1
SCHEMBL14275579 1.00 DPP4 (0.65) DPP4MAPTCYP3A4TSHRTDP1
SCHEMBL10264697 0.88 DPP4 (0.51) DPP4MAPTCYP3A4TSHRTDP1
SCHEMBL14275834 0.88 DPP4 (0.51) DPP4MAPTCYP3A4TSHRTDP1
Hydrochloric Acid SCHEMBL319479 0.86 DPP4 (0.50) DPP4MAPTCYP3A4TSHRTDP1
Hydrochloric Acid SCHEMBL15124225 0.86 DPP4 (0.50) DPP4MAPTCYP3A4TSHRTDP1
Hydrochloric Acid SCHEMBL15123902 0.84 DPP4 (0.49) DPP4MAPTCYP3A4TSHRTDP1
Hydrochloric Acid SCHEMBL15123903 0.84 DPP4 (0.49) DPP4MAPTCYP3A4TSHRTDP1
SCHEMBL27280778 0.82
SCHEMBL27280776 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3889146-A1 POLYHETEROCYCLIC TLR7/8 ANTAGONISTS AND THEIR USES FOR TREATING IMMUNE DISORDERS Merck Patent GmbH (DE) 2021-10-06 EP disclosed
US-10947213-B1 TLR7/8 antagonists and uses thereof MERCK PATENT GMBH (DE) 2021-03-16 US disclosed
US-10696649-B2 TLR7/8 antagonists and uses thereof MERCK PATENT GMBH (DE) 2020-06-30 US disclosed
US-20200095222-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2020-03-26 US disclosed
US-10399957-B2 TLR7/8 antagonists and uses thereof MERCK PATENT GMBH (DE) 2019-09-03 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-10947213-B1 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 DPP4 1575/4885MAPT 4219/4885CYP3A4 3093/4885
US-20200095222-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 DPP4 1575/4885MAPT 4219/4885CYP3A4 3093/4885
US-10399957-B2 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 DPP4 1220/4885MAPT 4252/4885CYP3A4 2700/4885
US-20170174653-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 DPP4 1220/4885MAPT 4252/4885CYP3A4 2700/4885
US-10696649-B2 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 DPP4 1575/4885MAPT 4219/4885CYP3A4 3093/4885

“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.