SCHEMBL19600504

SCHEMBL19600504

COC(=O)c1cccc(CN2CCN(C)CCN(Cc3cccc(C)n3)CCN(CCCNC(=O)OC(C)(C)C)CC2)n1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.49
SIGMAR1 Q99720 2/20 0.43
HTR2A P28223 3/20 0.43
HTR1A P08908 2/20 0.43
DRD3 P35462 1/20 0.43
FGFR1 P11362 1/20 0.42
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
HTR2C P28335 1/20 0.41
SLC6A4 P31645 1/20 0.41

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
SCHEMBL17805292 0.96 DRD2 (0.53) DRD2SIGMAR1FGFR1BCHEACHE
SCHEMBL19600507 0.84 BCHE (0.44) HTR2AHTR1ADRD3BCHEACHE
SCHEMBL31721289 0.80 BCHE (0.53) BCHEACHE
SCHEMBL3320134 0.80 BCHE (0.53) BCHEACHE
SCHEMBL30323664 0.79 BCHE (0.44) BCHEACHE
SCHEMBL17805293 0.78 BCHE (0.47) DRD3BCHEACHE
SCHEMBL22166944 0.75 ACHE (0.48) BCHEACHE
SCHEMBL31721094 0.74 BRD4 (0.44) DRD2BCHEACHE
SCHEMBL13609474 0.74 DRD2 (0.60) DRD2SIGMAR1
SCHEMBL15436107 0.74 NQO2 (0.48) BCHE

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-20170326261-A1 BIFUNCTIONAL do2pa DERIVATIVES, CHELATES WITH METALLIC CATIONS AND USE THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2017-11-16 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-20170326261-A1 BIFUNCTIONAL do2pa DERIVATIVES, CHELATES WITH METALLIC CATIONS AND USE THEREOF AP2A2, ATP2A2, SLC20A2 DRD2 176/4885SIGMAR1 271/4885HTR2A 735/4885

“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.