SCHEMBL5577378

SCHEMBL5577378

O=C(NCc1cccc(C2CCN(Cc3ccc(Cl)cc3)CC2)c1)c1ccc2ccccc2c1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 9/20 0.64
MCHR1 Q99705 1/20 0.58
SLC6A12 P48065 1/20 0.57
SLC6A13 Q9NSD5 1/20 0.57
BCHE P06276 1/20 0.54
CHRM3 P20309 1/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
CCR3 P51677 1/20 0.51
ACKR3 P25106 1/20 0.51

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
SCHEMBL5577611 0.89 MEN1 (0.59) CHRM3MEN1KMT2AACKR3
SCHEMBL5577618 0.88 CHRM3 (0.60) MCHR1CHRM3MEN1KMT2AACKR3
SCHEMBL5577612 0.87 CHRM3 (0.56) CHRM3MEN1KMT2AACKR3
SCHEMBL5577353 0.87 CHRM3 (0.56) MCHR1SLC6A12CHRM3MEN1KMT2A
SCHEMBL5577693 0.84 CHRM3 (0.54) DRD4CHRM3MEN1KMT2AACKR3
SCHEMBL5577607 0.83 ACHE (0.57) DRD4BCHEMEN1KMT2A
SCHEMBL5577563 0.83 DRD2 (0.58) MCHR1CHRM3MEN1KMT2AACKR3
SCHEMBL5577405 0.83 CCR2 (0.65) CHRM3MEN1KMT2A
SCHEMBL5577381 0.82 CHRM3 (0.53) DRD4MCHR1SLC6A12CHRM3MEN1
SCHEMBL5577545 0.82 ALDH1A1 (0.53) MCHR1CHRM3MEN1KMT2AACKR3

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-20070043079-A1 Heterocyclic compound containing nitrogen atom and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-02-22 US disclosed
EP-1616862-A1 NITROGENOUS HETEROCYCLIC COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-01-18 EP 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-20070043079-A1 Heterocyclic compound containing nitrogen atom and use thereof HLA-DRB1, MIF, HLA-C DRD4 4092/4885MCHR1 4381/4885SLC6A12 2295/4885

“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.