SCHEMBL25587388

SCHEMBL25587388

CC(C)(C)C(=O)NC(CO)c1ccccc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.74
GPR88 Q9GZN0 5/20 0.50
KCNQ3 O43525 1/20 0.49
KCNQ2 O43526 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.49
CYP2C19 P33261 1/20 0.49
EPHX2 P34913 2/20 0.49
MAPK1 P28482 2/20 0.49
POLB P06746 1/20 0.49
ROCK2 O75116 3/20 0.48
ROCK1 Q13464 3/20 0.48
MAPK13 O15264 1/20 0.48
RPS6KA5 O75582 1/20 0.48
MAP4K4 O95819 1/20 0.48
PAK4 O96013 1/20 0.48
PRKCG P05129 1/20 0.48

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
SCHEMBL12666568 1.00 RIPK1 (0.74) RIPK1GPR88KCNQ3KCNQ2CYP1A2
SCHEMBL25587390 1.00 RIPK1 (0.74) RIPK1GPR88KCNQ3KCNQ2CYP1A2
SCHEMBL4335710 0.90 RIPK1 (0.74) RIPK1GPR88KCNQ3KCNQ2EPHX2
SCHEMBL25590886 0.87 RIPK1 (0.67) RIPK1GPR88KCNQ3KCNQ2CYP1A2
SCHEMBL12666549 0.86 RIPK1 (0.60) RIPK1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL17882274 0.85 RIPK1 (1.00) RIPK1GPR88KCNQ3KCNQ2EPHX2
SCHEMBL17874150 0.85 RIPK1 (1.00) RIPK1GPR88KCNQ3KCNQ2EPHX2
SCHEMBL7820171 0.85 RIPK1 (0.55) RIPK1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL684799 0.83 RIPK1 (0.54) RIPK1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8070440 0.83 RIPK1 (0.65) RIPK1GPR88KCNQ3KCNQ2CYP1A2

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-20230278958-A1 TRICYCLIC HETEROCYCLES MERCK PATENT GMBH (DE) 2023-09-07 US disclosed
US-20230278958-A1 TRICYCLIC HETEROCYCLES MERCK PATENT GMBH (DE) 2023-09-07 US disclosed
US-20230174538-A1 Tricyclic heterocycles MERCK PATENT GMBH (DE) 2023-06-08 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-20230278958-A1 TRICYCLIC HETEROCYCLES YAP1, TERF2IP, TEAD1 RIPK1 595/4885GPR88 2587/4885KCNQ3 4740/4885
US-20230174538-A1 Tricyclic heterocycles YAP1, TEAD1, TERF2IP RIPK1 639/4885GPR88 2396/4885KCNQ3 4677/4885

“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.