SCHEMBL18980848

SCHEMBL18980848

CC1(C)C[C@@H](NC(=O)O)CN(Cc2ccccc2)C1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
DRD4 P21917 7/20 0.45
SIGMAR1 Q99720 1/20 0.45
DRD2 P14416 5/20 0.45
GAA P10253 1/20 0.44
DPP7 Q9UHL4 1/20 0.44
FUCA1 P04066 2/20 0.43
MCHR1 Q99705 1/20 0.43
EPHX1 P07099 1/20 0.43
EPHX2 P34913 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 2/20 0.42
DRD3 P35462 1/20 0.42
MEN1 O00255 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL16653600 1.00 POLB (0.45) POLBDRD4SIGMAR1DRD2GAA
SCHEMBL23779786 0.85 KMT2A (0.55) DRD4DRD2FUCA1MCHR1EPHX2
SCHEMBL18980315 0.85 KMT2A (0.55) DRD4DRD2FUCA1MCHR1EPHX2
SCHEMBL6482327 0.85 KMT2A (0.55) DRD4DRD2FUCA1MCHR1EPHX2
SCHEMBL1907944 0.81 S1PR1 (0.55) POLBDRD4SIGMAR1DRD2DPP7
SCHEMBL17061829 0.79 FUCA1 (0.56) SIGMAR1GAAFUCA1KMT2AMEN1
SCHEMBL8140451 0.79 FUCA1 (0.56) SIGMAR1GAAFUCA1KMT2AMEN1
SCHEMBL17294922 0.79 S1PR1 (0.53) POLBDRD4SIGMAR1DRD2DPP7
SCHEMBL20183285 0.76 DRD4 (0.70) POLBDRD4SIGMAR1DRD2DPP7
SCHEMBL19614234 0.76 DRD4 (0.70) POLBDRD4SIGMAR1DRD2DPP7

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 14 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-11629134-B2 TLR7/8 antagonists and uses thereof MERCK PATENT GMBH (DE) 2023-04-18 US disclosed
EP-3889145-A1 8-CYANO-5-PIPERIDINO-QUINOLINES AS TLR7/8 ANTAGONISTS AND THEIR USES FOR TREATING IMMUNE DISORDERS Merck Patent GmbH (DE) 2021-10-06 EP disclosed
EP-3889146-A1 POLYHETEROCYCLIC TLR7/8 ANTAGONISTS AND THEIR USES FOR TREATING IMMUNE DISORDERS Merck Patent GmbH (DE) 2021-10-06 EP disclosed
US-20210115013-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-04-22 US 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-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-10399957-B2 TLR7/8 antagonists and uses thereof MERCK PATENT GMBH (DE) 2019-09-03 US disclosed
EP-3390389-A1 POLYCYCLIC TLR7/8 ANTAGONISTS AND USE THEREOF IN THE TREATMENT OF IMMUNE DISORDERS Merck Patent GmbH (DE) 2018-10-24 EP disclosed
US-20170174653-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-06-22 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

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

For each of this compound's patents that has machine-readable text (10 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 POLB 1848/4885DRD4 4657/4885SIGMAR1 464/4885
US-20190330183-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 POLB 1848/4885DRD4 4657/4885SIGMAR1 464/4885
US-11629134-B2 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 POLB 1848/4885DRD4 4657/4885SIGMAR1 464/4885
US-20210115013-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 POLB 1473/4885DRD4 4680/4885SIGMAR1 546/4885
US-10947213-B1 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 POLB 1848/4885DRD4 4657/4885SIGMAR1 464/4885
US-10544122-B2 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 POLB 1848/4885DRD4 4657/4885SIGMAR1 464/4885
US-20200095222-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 POLB 1848/4885DRD4 4657/4885SIGMAR1 464/4885
US-10399957-B2 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 POLB 1929/4885DRD4 4551/4885SIGMAR1 581/4885
US-20170174653-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 POLB 1929/4885DRD4 4551/4885SIGMAR1 581/4885
US-10696649-B2 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 POLB 1848/4885DRD4 4657/4885SIGMAR1 464/4885

“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.