SCHEMBL5578697

SCHEMBL5578697

CC1CN(Cc2ccc(F)cc2)CCN1c1cccc(CNC(=O)c2ccc(Cl)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 4/20 0.52
CHRM3 P20309 9/20 0.50
CCR1 P32246 1/20 0.47
LMNA P02545 1/20 0.47
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
CHRM2 P08172 3/20 0.46
CHRM1 P11229 3/20 0.46
CCR2 P41597 1/20 0.46
ALDH1A1 P00352 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL5577684 0.90 CXCR3 (0.51) CXCR3CCR1LMNACCR2MEN1
SCHEMBL5577879 0.87 ALDH1A1 (0.50) CXCR3CHRM3LMNAHDAC1HDAC6
SCHEMBL5577302 0.85 MT-CO2 (0.48) CHRM3LMNACCR2MEN1KMT2A
SCHEMBL5577690 0.84 CXCR3 (0.58) CXCR3CCR1MEN1KMT2A
SCHEMBL5577761 0.84 CHRM3 (0.58) CXCR3CHRM3LMNAALDH1A1
SCHEMBL5577730 0.83 CCR1 (0.48) CXCR3CCR1CCR2MEN1KMT2A
SCHEMBL5577851 0.82 CHRM3 (0.46) CXCR3CHRM3LMNA
SCHEMBL5577719 0.81 CHRM3 (0.55) CXCR3CHRM3CHRM1ALDH1A1
SCHEMBL5577669 0.80 CXCR3 (0.50) CXCR3CCR1MEN1KMT2A
SCHEMBL5577381 0.80 CHRM3 (0.53) CHRM3LMNACCR2ALDH1A1MEN1

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 CXCR3 32/4885CHRM3 2099/4885CCR1 103/4885

“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.