SCHEMBL23698798

SCHEMBL23698798

COC(=O)c1cc(Cc2ccc(-c3cnn(C)c3)nc2)c2c(c1F)CCO2

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 10/20 0.49
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
GRM2 Q14416 4/20 0.40
KCNJ1 P48048 1/20 0.37
MET P08581 1/20 0.36
CSF1R P07333 1/20 0.36
STING1 Q86WV6 1/20 0.35

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
SCHEMBL23698900 0.91 CHRM1 (0.49) CHRM1CYP11B1CYP11B2GRM2KCNJ1
SCHEMBL23698817 0.90 CHRM1 (0.47) CHRM1GRM2
SCHEMBL21834493 0.85 CHRM1 (0.44) CHRM1GRM2MET
SCHEMBL30428197 0.83 CHRM1 (0.49) CHRM1CYP11B1CYP11B2GRM2KCNJ1
SCHEMBL21873365 0.83 CHRM1 (0.49) CHRM1CYP11B1CYP11B2GRM2KCNJ1
SCHEMBL23713268 0.82 CYP11B1 (0.45) CHRM1CYP11B1CYP11B2GRM2KCNJ1
SCHEMBL21834470 0.82 KAT6A (0.35) CHRM1
SCHEMBL23698814 0.82 CHRM1 (0.76) CHRM1
SCHEMBL23698891 0.81 BRD4 (0.36) CHRM1
SCHEMBL23698833 0.79 CHRM1 (0.47) CHRM1GRM2STING1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12162864-B2 Condensed-cyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-12-10 US disclosed
EP-3858823-A1 CONDENSED-CYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2021-08-04 EP 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 (1 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-12162864-B2 Condensed-cyclic compound SLC10A2, VIP, AVPR2 CHRM1 576/4885CYP11B1 747/4885CYP11B2 678/4885

“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.