SCHEMBL19600507

SCHEMBL19600507

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.44
ACHE P22303 2/20 0.44
HTR1A P08908 2/20 0.42
HTR2A P28223 2/20 0.42
DRD3 P35462 1/20 0.42
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CSF1R P07333 2/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
PARP1 P09874 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PKM P14618 1/20 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
SCHEMBL17805293 0.95 BCHE (0.47) BCHEACHEDRD3L3MBTL1HRH3
SCHEMBL31721289 0.86 BCHE (0.53) BCHEACHENPSR1L3MBTL1HRH3
SCHEMBL3320134 0.86 BCHE (0.53) BCHEACHENPSR1L3MBTL1HRH3
SCHEMBL19600504 0.84 DRD2 (0.49) BCHEACHEHTR1AHTR2ADRD3
SCHEMBL29556580 0.83 SIGMAR1 (0.41) NPSR1HRH3KDM4EALDH1A1
SCHEMBL17797162 0.83 SIGMAR1 (0.41) NPSR1HRH3KDM4EALDH1A1
SCHEMBL17805292 0.78 DRD2 (0.53) BCHEACHEKDM4E
SCHEMBL16728791 0.77 BCHE (0.44) BCHEACHEPARP1KDM4EMRGPRX4
SCHEMBL465875 0.77 BCHE (0.53) BCHEACHEKMT2AMEN1NPSR1
SCHEMBL31186159 0.77 BCHE (0.53) BCHEACHEKMT2AMEN1NPSR1

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 BCHE 2993/4885ACHE 2440/4885HTR1A 3084/4885

“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.