SCHEMBL24199399

SCHEMBL24199399

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

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 18/20 0.41
▸ DRD1 P21728 13/20 0.41
▸ DRD4 P21917 2/20 0.38
▸ ADRA2A P08913 1/20 0.38
▸ DRD5 P21918 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ HRH4 Q9H3N8 1/20 0.38

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
SCHEMBL23125443 0.92 DRD2 (0.41) DRD2DRD1DRD4HRH4
SCHEMBL15047809 0.91 DRD2 (0.40) DRD2DRD1DRD4HRH4
SCHEMBL24199398 0.90 DRD2 (0.40) DRD2DRD1DRD4HRH4
SCHEMBL20751555 0.90 DRD2 (0.40) DRD2DRD1DRD4HRH4
SCHEMBL23125445 0.90 DRD2 (0.44) DRD2DRD1HRH4
SCHEMBL20751621 0.87 DRD2 (0.38) DRD2DRD1DRD4HRH4
SCHEMBL23125441 0.82 DRD1 (0.40) DRD2DRD1DRD4HRH4
SCHEMBL15047808 0.82 DRD2 (0.39) DRD2DRD1DRD4HRH4
SCHEMBL20751562 0.81 DRD2 (0.38) DRD2DRD1DRD4HRH4
SCHEMBL20751674 0.80 DRD1 (0.38) DRD2DRD1DRD4ADRA2ADRD5

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-11225490-B2 Prodrugs of secondary amine compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2022-01-18 — — 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-11225490-B2 Prodrugs of secondary amine compounds HNMT, MAOB, UGT1A1 DRD2 548/4885DRD1 1492/4885DRD4 858/4885

“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.

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