SCHEMBL22033671

SCHEMBL22033671

OC1C=CCN(C2CCCCCC2)C1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.34
KDM4E B2RXH2 3/20 0.32
TDP1 Q9NUW8 1/20 0.32
POLB P06746 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PHGDH O43175 1/20 0.32
MGLL Q99685 1/20 0.32
LMNA P02545 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
SCHEMBL22073011 1.00 SLC18A3 (0.34) SLC18A3KDM4ETDP1POLBALDH1A1
SCHEMBL22032738 1.00 SLC18A3 (0.34) SLC18A3KDM4ETDP1POLBALDH1A1
SCHEMBL22032682 1.00 SLC18A3 (0.34) SLC18A3KDM4ETDP1POLBALDH1A1
SCHEMBL22033648 0.98 SLC18A3 (0.32) SLC18A3
SCHEMBL22032672 0.98 SLC18A3 (0.32) SLC18A3
SCHEMBL22032678 0.98 SLC18A3 (0.32) SLC18A3
SCHEMBL22033772 0.94
SCHEMBL22032740 0.94
SCHEMBL22033183 0.94
SCHEMBL22032726 0.81 KDM4E (0.36) KDM4EPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220380309-A1 CHOLINE METABOLISM INHIBITORS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2022-12-01 US disclosed
WO-2020117942-A1 CHOLINE METABOLISM INHIBITORS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2020-06-11 WO disclosed
WO-2020117942-A1 CHOLINE METABOLISM INHIBITORS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2020-06-11 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-20220380309-A1 CHOLINE METABOLISM INHIBITORS CHKB, CRAT, HNMT SLC18A3 176/4885KDM4E 498/4885TDP1 2485/4885

“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.