SCHEMBL5577381

SCHEMBL5577381

O=C(NCc1cccc(C2CCN(Cc3ccc(F)cc3)C2)c1)c1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 1/20 0.53
CCR2 P41597 3/20 0.53
ACKR3 P25106 3/20 0.52
DRD2 P14416 2/20 0.50
DRD4 P21917 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.49
SIGMAR1 Q99720 2/20 0.49
SLC6A12 P48065 1/20 0.49
TMEM97 Q5BJF2 1/20 0.49
MCHR1 Q99705 1/20 0.49
CHRM4 P08173 1/20 0.48

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
SCHEMBL5577353 0.95 CHRM3 (0.56) CHRM3CCR2ACKR3DRD2MEN1
SCHEMBL5577873 0.89 DRD2 (0.53) CCR2DRD2MEN1KMT2A
SCHEMBL5577611 0.86 MEN1 (0.59) CHRM3CCR2ACKR3DRD2MEN1
SCHEMBL5577897 0.86 GAA (0.54) CHRM3ACKR3ALDH1A1LMNAMCHR1
SCHEMBL5577612 0.85 CHRM3 (0.56) CHRM3CCR2ACKR3DRD2MEN1
SCHEMBL5577499 0.84 CHRM3 (0.58) CHRM3ACKR3DRD2DRD4MEN1
SCHEMBL5577654 0.84 MEN1 (0.59) CCR2DRD2DRD4MEN1KMT2A
SCHEMBL5577901 0.83 MT-CO2 (0.50) CHRM3ACKR3MEN1KMT2ALMNA
SCHEMBL5577727 0.83 DRD2 (0.56) CHRM3ACKR3DRD2MEN1KMT2A
SCHEMBL5577618 0.83 CHRM3 (0.60) CHRM3CCR2ACKR3DRD2MEN1

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 CHRM3 2099/4885CCR2 489/4885ACKR3 389/4885

“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.