SCHEMBL5577618

SCHEMBL5577618

O=C(NCc1cccc(C2CCN(Cc3ccc(Cl)cc3)CC2)c1)c1cccc(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 2/20 0.60
CCR2 P41597 4/20 0.58
ACKR3 P25106 2/20 0.55
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
CXCR3 P49682 1/20 0.52
IDO1 P14902 2/20 0.51
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51
DRD2 P14416 1/20 0.51
MCHR1 Q99705 1/20 0.50
KCNH2 Q12809 1/20 0.49

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 0.93 MEN1 (0.59) CHRM3CCR2ACKR3MEN1KMT2A
SCHEMBL5577405 0.89 CCR2 (0.65) CHRM3CCR2MEN1KMT2AKCNH2
SCHEMBL5577378 0.88 DRD4 (0.64) CHRM3ACKR3MEN1KMT2AMCHR1
SCHEMBL5577612 0.88 CHRM3 (0.56) CHRM3CCR2ACKR3MEN1KMT2A
SCHEMBL5577353 0.88 CHRM3 (0.56) CHRM3CCR2ACKR3MEN1KMT2A
SCHEMBL5577572 0.87 CHRM3 (0.54) CHRM3CCR2ACKR3MEN1KMT2A
SCHEMBL5577693 0.85 CHRM3 (0.54) CHRM3ACKR3MEN1KMT2ACXCR3
SCHEMBL5577545 0.85 ALDH1A1 (0.53) CHRM3ACKR3MEN1KMT2AHPGD
SCHEMBL5577563 0.85 DRD2 (0.58) CHRM3ACKR3MEN1KMT2ADRD2
SCHEMBL5577768 0.84 CHRM3 (0.50) CHRM3CCR2ACKR3MEN1KMT2A

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.