SCHEMBL19009014

SCHEMBL19009014

Cc1c(F)cc(C#N)c(C)c1C

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 3/20 0.45
KHK P50053 1/20 0.38
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
CYP11B1 P15538 4/20 0.36
CYP11B2 P19099 4/20 0.36
AR P10275 6/20 0.35
TSHR P16473 1/20 0.34
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL27362042 0.84 TRPV4 (0.43) TRPV4KHKESR1ESR2CYP11B1
SCHEMBL29913745 0.82 TSHR (0.42) TRPV4ARTSHRALDH1A1
SCHEMBL14033196 0.79 TRPV4 (0.39) TRPV4KHKESR1ESR2CYP11B1
SCHEMBL13525263 0.79 DHODH (0.40) TRPV4KHKESR1ESR2CYP11B1
SCHEMBL30493379 0.79 TRPV4 (0.43) TRPV4KHKESR1ESR2CYP11B1
SCHEMBL25436881 0.79 TRPV4 (0.43) TRPV4KHKESR1ESR2CYP11B1
SCHEMBL3191461 0.79 TRPV4 (0.43) TRPV4KHKESR1ESR2CYP11B1
SCHEMBL19021947 0.79 TRPV4 (0.39) TRPV4KHKESR1ESR2CYP11B1
SCHEMBL11981507 0.77 TRPV4 (0.38) TRPV4KHKESR1ESR2CYP11B1
SCHEMBL16122316 0.76 TRPV4 (0.35) TRPV4KHKESR1ESR2CYP11B1

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 3 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
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-20230303514-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 TRPV4 1403/4885KHK 4470/4885ESR1 154/4885
US-20170174653-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 TRPV4 962/4885KHK 4599/4885ESR1 200/4885

“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.