SCHEMBL20224813

SCHEMBL20224813

COC1(C)CCN(CCOc2ccccc2)C1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.69
LTA4H P09960 3/20 0.49
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
PLA2G7 Q13093 1/20 0.46
TMEM97 Q5BJF2 1/20 0.45
SIGMAR1 Q99720 1/20 0.45

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
SCHEMBL20224804 0.91 DRD2 (0.67) DRD2LTA4HMEN1ALDH1A1LMNA
SCHEMBL17848556 0.89 DRD2 (0.85) DRD2LTA4HPLA2G7
SCHEMBL17848335 0.84 DRD2 (0.71) DRD2LTA4HMEN1ALDH1A1LMNA
SCHEMBL25464878 0.83 DRD2 (0.80) DRD2
SCHEMBL20224807 0.82 DRD2 (0.85) DRD2LTA4HTMEM97SIGMAR1
SCHEMBL17848482 0.82 DRD2 (0.71) DRD2LTA4H
SCHEMBL17848614 0.82 DRD2 (1.00) DRD2LTA4HALDH1A1
SCHEMBL17848595 0.82 DRD2 (0.78) DRD2LTA4HPLA2G7TMEM97SIGMAR1
SCHEMBL17848374 0.82 DRD2 (0.78) DRD2LTA4H
SCHEMBL17848461 0.82 DRD2 (1.00) DRD2MEN1KMT2A

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
US-20230143552-A1 DOPAMINE D2 RECEPTOR LIGANDS THE BROAD INSTITUTE, INC. (US) 2023-05-11 US disclosed
US-20180155283-A1 DOPAMINE D2 RECEPTOR LIGANDS THE BROAD INSTITUTE, INC. (US) 2018-06-07 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 (2 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-20180155283-A1 DOPAMINE D2 RECEPTOR LIGANDS DRD2, DRD3, ARRB1 DRD2 1/4885LTA4H 2669/4885MEN1 4669/4885
US-20230143552-A1 DOPAMINE D2 RECEPTOR LIGANDS DRD2, SLC6A3, NTSR2 DRD2 1/4885LTA4H 2479/4885MEN1 4490/4885

“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.