SCHEMBL18999990

SCHEMBL18999990

Cc1cc(C(C)C)c(C(C)C)n1C

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 2/20 0.33
TRPA1 O75762 1/20 0.31
LMNA P02545 1/20 0.31
CHRM1 P11229 1/20 0.31
SLC6A2 P23975 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL12009459 0.78 MAPT (0.34) CRHR1TRPA1LMNACHRM1SLC6A2
SCHEMBL19366819 0.78 KDM4E (0.30)
SCHEMBL12795919 0.76 CA1 (0.31) CA1CA2
SCHEMBL26714411 0.74 CA1 (0.30) CA1CA2
SCHEMBL20354259 0.74 ALDH1A1 (0.39) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL20844006 0.71 POLB (0.35) LMNA
SCHEMBL20673422 0.71 CRHR1 (0.33) CRHR1
SCHEMBL26710206 0.71 CRHR1 (0.30) CRHR1
SCHEMBL26714412 0.70
SCHEMBL20280294 0.70 CRHR1 (0.38) CRHR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4248968-A2 TLR7/8 ANTAGONISTS AND USES THEREOF Merck Patent GmbH (DE) 2023-09-27 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
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
US-20200369648-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2020-11-26 US disclosed
US-10836750-B1 TLR7/8 antagonists and uses thereof MERCK PATENT GMBH (DE) 2020-11-17 US disclosed
US-10793553-B2 TLR7/8 antagonists and uses thereof MERCK PATENT GMBH (DE) 2020-10-06 US disclosed
WO-2019018354-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-01-24 WO disclosed
US-20190023687-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-01-24 US 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-20200369648-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 CRHR1 1137/4885TRPA1 513/4885LMNA 1703/4885
US-20190023687-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 CRHR1 1223/4885TRPA1 346/4885LMNA 1770/4885
US-10793553-B2 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 CRHR1 1223/4885TRPA1 346/4885LMNA 1770/4885
US-20170174653-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 CRHR1 1223/4885TRPA1 346/4885LMNA 1770/4885
US-10836750-B1 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 CRHR1 1137/4885TRPA1 513/4885LMNA 1703/4885

“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.