SCHEMBL22280417

SCHEMBL22280417

C=C1CCC(CO)(C(=O)OCC)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.41
POLB P06746 1/20 0.36
OPRM1 P35372 6/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.34
OPRD1 P41143 3/20 0.34
OPRK1 P41145 3/20 0.34
SLC22A1 O15245 1/20 0.34
SLC6A4 P31645 1/20 0.34
ADRA1A P35348 1/20 0.34
KCNH2 Q12809 1/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL17048789 0.85 ATM (0.40) ATMPOLBOPRM1SMN1; SMN2KDM4E
SCHEMBL16639039 0.85 ATM (0.40) ATMPOLBKDM4EKMT2AMEN1
SCHEMBL15166991 0.84 POLB (0.40) ATMPOLBOPRM1SMN1; SMN2KDM4E
SCHEMBL164041 0.83 ALDH1A1 (0.40) ATMPOLBOPRM1SMN1; SMN2OPRD1
SCHEMBL5765 0.81 KDM4E (0.51) ATMOPRM1KDM4EOPRD1KMT2A
SCHEMBL136687 0.80 ATM (0.44) ATMPOLBOPRM1SMN1; SMN2KDM4E
SCHEMBL1691128 0.80 SMN1; SMN2 (0.42) ATMPOLBOPRM1SMN1; SMN2KDM4E
SCHEMBL1691141 0.80 CYP4F2 (0.41) ATMPOLBOPRM1SMN1; SMN2KDM4E
SCHEMBL6890988 0.79 ATM (0.42) ATMPOLBOPRM1SMN1; SMN2KDM4E
SCHEMBL2185965 0.78 CYP4F2 (0.40) POLBOPRM1SMN1; SMN2KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240417406-A1 NITROGEN-CONTAINING TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2024-12-19 US disclosed
EP-4438040-A1 NITROGEN-CONTAINING TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF Japan Tobacco Inc. (JP) 2024-10-02 EP disclosed
CN-117897382-A Nitrogen-containing tricyclic compounds and pharmaceutical uses thereof 日本烟草产业株式会社 2024-04-16 CN disclosed
WO-2020153431-A1 ESTER COMPOUND 第一三共株式会社 2020-07-30 WO disclosed
WO-2020153431-A1 ESTER COMPOUND 第一三共株式会社 2020-07-30 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-20240417406-A1 NITROGEN-CONTAINING TRICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF PC, PCK2, AGK ATM 709/4885POLB 858/4885OPRM1 2909/4885

“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.