SCHEMBL18999989

SCHEMBL18999989

CC(C)c1ccc(C(F)(F)F)c(C(C)C)c1C(C)C

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 3/20 0.39
NOTUM Q6P988 1/20 0.36
P2RX7 Q99572 1/20 0.35
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
AR P10275 1/20 0.32
TRPA1 O75762 1/20 0.32
RORC P51449 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
SCHEMBL25022496 0.83 PDE2A (0.37) PDE2ANOTUMP2RX7PDE3BPDE3A
SCHEMBL10796149 0.81 P2RX7 (0.50) P2RX7ARTRPA1
SCHEMBL1292825 0.78 GABRA1 (0.41) TRPA1
SCHEMBL807279 0.77 P2RX7 (0.48) P2RX7TRPA1
SCHEMBL18878435 0.74 PDE2A (0.59) PDE2ANOTUMP2RX7PDE3BPDE3A
SCHEMBL17947171 0.74 PDE2A (0.39) PDE2ANOTUMP2RX7PDE3BPDE3A
SCHEMBL23625165 0.74 NOTUM (0.40) PDE2ANOTUMP2RX7PDE3BPDE3A
SCHEMBL12868145 0.72 PDE2A (0.46) PDE2ANOTUMPDE3BPDE3A
SCHEMBL13453950 0.72 TRPA1 (0.45) PDE2ANOTUMP2RX7PDE3BPDE3A
SCHEMBL4554167 0.72 SLC6A2 (0.38) PDE2ANOTUMP2RX7PDE3BPDE3A

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 6 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-3655401-B1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2023-09-06 EP disclosed
EP-4198031-A1 TLR7/8 ANTAGONISTS AND USES THEREOF Merck Patent GmbH (DE) 2023-06-21 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-20180037570-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2018-02-08 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 (2 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-20180037570-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 PDE2A 1482/4885NOTUM 4256/4885P2RX7 23/4885
US-20170174653-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 PDE2A 1482/4885NOTUM 4256/4885P2RX7 23/4885

“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.