SCHEMBL23125443

SCHEMBL23125443

CC(=O)OCOC(=O)N1C(N2CCN(C)CC2)=c2ccccc2=Nc2ccc(Cl)cc21

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 17/20 0.41
DRD1 P21728 11/20 0.40
MEN1 O00255 1/20 0.38
ABCB11 O95342 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DRD4 P21917 2/20 0.37
HRH4 Q9H3N8 2/20 0.37

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
SCHEMBL15047809 0.92 DRD2 (0.40) DRD2DRD1MEN1ABCB11LMNA
SCHEMBL24199399 0.92 DRD2 (0.41) DRD2DRD1DRD4HRH4
SCHEMBL24199398 0.91 DRD2 (0.40) DRD2DRD1MEN1ABCB11LMNA
SCHEMBL23125445 0.91 DRD2 (0.44) DRD2DRD1MEN1ABCB11LMNA
SCHEMBL20751555 0.90 DRD2 (0.40) DRD2DRD1MEN1ABCB11LMNA
SCHEMBL20751621 0.88 DRD2 (0.38) DRD2DRD1DRD4HRH4
SCHEMBL23125441 0.85 DRD1 (0.40) DRD2DRD1MEN1ABCB11LMNA
SCHEMBL15047808 0.81 DRD2 (0.39) DRD2DRD1DRD4HRH4
SCHEMBL20751562 0.80 DRD2 (0.38) DRD2DRD1DRD4HRH4
SCHEMBL20751674 0.79 DRD1 (0.38) DRD2DRD1DRD4

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-10954250-B2 Prodrugs of secondary amine compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2021-03-23 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-10954250-B2 Prodrugs of secondary amine compounds HNMT, MAOB, UGT1A1 DRD2 548/4885DRD1 1492/4885MEN1 120/4885

“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.