SCHEMBL5577684

SCHEMBL5577684

CC1CN(Cc2ccc(F)cc2)CCN1c1ccc(CNC(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 3/20 0.51
CCR1 P32246 1/20 0.51
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
MAPT P10636 1/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
RAB9A P51151 1/20 0.46
CCR2 P41597 1/20 0.46

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
SCHEMBL5578697 0.90 CXCR3 (0.52) CXCR3CCR1MEN1KMT2ALMNA
SCHEMBL5577629 0.85 ALDH1A1 (0.53) CXCR3LMNAPOLBSMN1; SMN2
SCHEMBL5577730 0.85 CCR1 (0.48) CXCR3CCR1MEN1KMT2ADRD2
SCHEMBL5577690 0.85 CXCR3 (0.58) CXCR3CCR1MEN1KMT2A
SCHEMBL5577303 0.83 CCR1 (0.50) CXCR3CCR1MEN1KMT2APOLB
SCHEMBL5577919 0.82 MT-CO2 (0.52) CCR1MEN1KMT2ALMNACYP1A2
SCHEMBL5577669 0.82 CXCR3 (0.50) CXCR3CCR1MEN1KMT2A
SCHEMBL5577638 0.82 CXCR3 (0.50) CXCR3CCR1MEN1KMT2ASMN1; SMN2
SCHEMBL5577570 0.80 SMN1; SMN2 (0.53) MEN1KMT2AMAPTLMNAPOLB
SCHEMBL5577873 0.80 DRD2 (0.53) CCR1MEN1KMT2ADRD2POLB

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 32/4885CCR1 103/4885MEN1 748/4885

“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.