SCHEMBL25722286

SCHEMBL25722286

COc1ccc2c(c1)[C@H](C)N(C(=O)C(F)(F)F)CC2

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.57
ESR2 Q92731 1/20 0.57
KMT2A Q03164 3/20 0.51
MTNR1B P49286 10/20 0.49
MTNR1A P48039 8/20 0.49
NQO2 P16083 6/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
HSD11B1 P28845 1/20 0.45
PARP1 P09874 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL30878562 1.00 ESR1 (0.57) ESR1ESR2KMT2AMTNR1BMTNR1A
SCHEMBL30878525 0.90 ESR1 (0.57) ESR1ESR2KMT2AMTNR1BSMN1; SMN2
SCHEMBL30878534 0.83 ESR1 (0.58) ESR1ESR2KMT2AMTNR1BSMN1; SMN2
SCHEMBL22145358 0.82 ESR1 (0.45) ESR1ESR2KMT2AMTNR1BSMN1; SMN2
SCHEMBL30878560 0.82 ESR1 (0.53) ESR1ESR2KMT2AMTNR1BSMN1; SMN2
SCHEMBL25722290 0.79 SMN1; SMN2 (0.60) KMT2AMTNR1BSMN1; SMN2KDM4EALDH1A1
SCHEMBL30878595 0.79 DRD1 (0.55) ESR1ESR2MTNR1B
SCHEMBL33532809 0.78 ESR1 (0.41) ESR1ESR2KMT2AMTNR1B
SCHEMBL30878596 0.78 PDK2 (0.48) ESR1ESR2MTNR1BMTNR1ANQO2
SCHEMBL25722288 0.78 SMN1; SMN2 (0.58) KMT2AMTNR1BSMN1; SMN2KDM4EALDH1A1

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-20240217966-A1 PHARMACEUTICAL COMPOSITION CONTAINING GLP-1 RECEPTOR AGONIST HAVING FUSED RING SHIONOGI & CO., LTD. (JP) 2024-07-04 US disclosed
WO-2023106310-A1 AROMATIC HETEROCYCLIC DERIVATIVE HAVING GLP-1 RECEPTOR AGONIST ACTIVITY 塩野義製薬株式会社 2023-06-15 WO 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-20240217966-A1 PHARMACEUTICAL COMPOSITION CONTAINING GLP-1 RECEPTOR AGONIST HAVING FUSED RING GLP1R, GIPR, GCGR ESR1 773/4885ESR2 1015/4885KMT2A 3200/4885

“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.