SCHEMBL22018450

SCHEMBL22018450

CN1CCN(C(=O)OC2CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HTT P42858 1/20 0.43
TPSAB1 Q15661 6/20 0.42
TPSD1 Q9BZJ3 6/20 0.42
TPSG1 Q9NRR2 6/20 0.42
HRH3 Q9Y5N1 4/20 0.42
LMNA P02545 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SCN1A P35498 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN3A Q9NY46 1/20 0.41
F2 P00734 1/20 0.40
PRSS1 P07477 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40

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
SCHEMBL21428432 0.92 LMNA (0.47) CYP1A2TDP1HTTTPSAB1TPSD1
SCHEMBL22018451 0.92 TPSAB1 (0.50) HTTTPSAB1TPSD1TPSG1F2
SCHEMBL21428419 0.90 LMNA (0.50) CYP1A2TDP1HTTTPSAB1TPSD1
SCHEMBL15219283 0.87 HTT (0.53) HTTTPSAB1TPSD1TPSG1HRH3
SCHEMBL4283947 0.87 TPSAB1 (0.51) CYP1A2TDP1HTTTPSAB1TPSD1
SCHEMBL21739558 0.87 HRH3 (0.45) CYP1A2TDP1HTTTPSAB1TPSD1
SCHEMBL12820098 0.87 TP53 (0.41) CYP1A2TDP1HTTTPSAB1TPSD1
SCHEMBL18505956 0.82 CYP1A2 (0.42) CYP1A2TDP1HTTTPSAB1TPSD1
SCHEMBL19491339 0.82 CYP1A2 (0.42) CYP1A2TDP1HTTHRH3LMNA
SCHEMBL25621683 0.81 SCN1A (0.44) HRH3MEN1KMT2ASCN1ASCN2A

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
WO-2024054469-A1 ISOQUINOLONES AS PI3K INHIBITORS ONKURE, INC. (US) 2024-03-14 WO disclosed
US-20200157048-A1 (2E,4E)-5-PHENYL-PENTA-2,4-DIEN-1-ONE DERIVATIVE BIOWAY., INC (KR) 2020-05-21 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-20200157048-A1 (2E,4E)-5-PHENYL-PENTA-2,4-DIEN-1-ONE DERIVATIVE PCK1, PCK2, ACACB CYP1A2 3505/4885TDP1 4412/4885HTT 4563/4885

“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.