SCHEMBL21990274

SCHEMBL21990274

CC(C)(C)C(=O)OCn1ccnn1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.36
CYP19A1 P11511 12/20 0.35
CYP1A1 P04798 2/20 0.35
NPC1 O15118 2/20 0.35
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TSHR P16473 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
PRKCA P17252 1/20 0.32

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
SCHEMBL27739344 0.77 ALDH1A1 (0.44) FOLH1CYP19A1CYP1A1GAACYP1A2
SCHEMBL1968712 0.73 TSHR (0.56) FOLH1CYP19A1CYP1A1NPC1TSHR
SCHEMBL28807834 0.72 FOLH1 (0.39) FOLH1CYP19A1CYP1A1
SCHEMBL28317337 0.71 FOLH1 (0.35) FOLH1CYP19A1CYP1A1TSHR
SCHEMBL9284133 0.70 CYP19A1 (0.58) CYP19A1CYP1A1KMT2A
SCHEMBL18377936 0.70 NPC1 (0.42) NPC1POLBGAANPSR1CYP1A2
SCHEMBL30724678 0.69
SCHEMBL6714332 0.69 POLB (0.37) NPC1POLBGAANPSR1CYP1A2
SCHEMBL10643045 0.69 TBXAS1 (0.48)
SCHEMBL15825610 0.69 NPC1 (0.35) NPC1POLBGAANPSR1TSHR

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-11905287-B2 4-substitued cytisine analogues THE UNIVERSITY OF BRISTOL (GB) 2024-02-20 US claimed
US-11667638-B2 4-substitued cytisine analogues THE UNIVERSITY OF BRISTOL 2023-06-06 US claimed
EP-3500572-B1 CYTISINE DERIVATIVES FOR THE TREATMENT OF ADDICTION UNIV BRISTOL (GB) 2022-10-26 EP claimed
US-20200172544-A1 COMPOUNDS THE UNIVERSITY OF BRISTOL (GB) 2020-06-04 US claimed
WO-2024048615-A1 METHOD FOR PRODUCING QUINOXALINE DERIVATIVE 協和キリン株式会社 2024-03-07 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 (3 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-11667638-B2 4-substitued cytisine analogues CES2, CDA, PCYT1A FOLH1 1072/4885CYP19A1 1943/4885CYP1A1 485/4885
US-20200172544-A1 COMPOUNDS CES2, CYCS, CHKB FOLH1 2044/4885CYP19A1 1857/4885CYP1A1 356/4885
US-11905287-B2 4-substitued cytisine analogues CES2, CDA, PCYT1A FOLH1 1072/4885CYP19A1 1943/4885CYP1A1 485/4885

“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.