SCHEMBL31664596

SCHEMBL31664596

CN(C[C@@H]1COCc2c(-c3ccc(C#N)cc3)cccc21)C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
GPR119 Q8TDV5 2/20 0.35
IDH1 O75874 1/20 0.34
JAK2 O60674 1/20 0.34
JAK3 P52333 1/20 0.34
PTK2 Q05397 1/20 0.34
HRH3 Q9Y5N1 2/20 0.32
UCHL1 P09936 1/20 0.32
USP30 Q70CQ3 1/20 0.32
LAP3 P28838 1/20 0.32
KCNA5 P22460 1/20 0.32
MMP2 P08253 1/20 0.31
PTPN1 P18031 1/20 0.31
CYP11B1 P15538 3/20 0.31
CYP11B2 P19099 3/20 0.31
ABCB1 P08183 2/20 0.31
CHRM3 P20309 1/20 0.31

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
SCHEMBL31664591 0.88 BRD4 (0.36) BRD4CREBBPIDH1JAK2JAK3
SCHEMBL31664593 0.88 BRD4 (0.36) BRD4CREBBPIDH1JAK2JAK3
SCHEMBL30782874 0.85 CYP11B2 (0.41) GPR119HRH3UCHL1USP30LAP3
SCHEMBL30782926 0.82 JAK2 (0.37) GPR119JAK2JAK3PTK2PTPN1
SCHEMBL30782831 0.81 GPR119 (0.36) BRD4CREBBPGPR119IDH1JAK2
SCHEMBL30782832 0.81 GPR119 (0.36) BRD4CREBBPGPR119IDH1JAK2
SCHEMBL30782830 0.81 JAK2 (0.35) BRD4CREBBPGPR119IDH1JAK2
SCHEMBL31664592 0.81 JAK2 (0.35) BRD4CREBBPGPR119IDH1JAK2
SCHEMBL30782852 0.80 BRD4 (0.34) BRD4CREBBPUCHL1USP30
SCHEMBL30782903 0.80 BRD4 (0.34) BRD4CREBBPUCHL1USP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250236602-A1 COMPOUNDS FOR THE TREATMENT OF A CENTRAL NERVOUS SYSTEM DISEASE OR DISORDER CORETERRA THERAPEUTICS, INC. 2025-07-24 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 (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-20250236602-A1 COMPOUNDS FOR THE TREATMENT OF A CENTRAL NERVOUS SYSTEM DISEASE OR DISORDER PMP22, INA, SLC18A2 BRD4 1824/4885CREBBP 1531/4885GPR119 2617/4885

“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.