SCHEMBL5577570

SCHEMBL5577570

CC1CN(c2ccc(CNC(=O)c3ccc(Cl)cc3)cc2)CCN1Cc1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
HTT P42858 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
POLB P06746 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
CYP1A2 P05177 1/20 0.46
RAB9A P51151 1/20 0.46
MLLT1 Q03111 1/20 0.45
HSP90AA1 P07900 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
SCHEMBL5577851 0.90 CHRM3 (0.46) SMN1; SMN2HTTNPSR1LMNAMAPT
SCHEMBL17086799 0.86 HDAC1 (0.54)
SCHEMBL5577709 0.85 GAA (0.51) SMN1; SMN2HTTNPSR1LMNAMAPT
SCHEMBL5577657 0.85 GNRHR (0.45) LMNAMAPTPOLB
SCHEMBL5577898 0.85 CXCR3 (0.48) MAPTPOLBMLLT1
SCHEMBL5577304 0.83 CXCR3 (0.46) MLLT1
SCHEMBL5577542 0.82 MT-CO2 (0.52) LMNACYP2C19CYP3A4CYP2C9MEN1
SCHEMBL5577584 0.82 SCN10A (0.47)
SCHEMBL5577938 0.82 CXCR3 (0.44) SMN1; SMN2MAPTMLLT1
SCHEMBL5577684 0.80 CXCR3 (0.51) SMN1; SMN2HTTNPSR1LMNAMAPT

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 SMN1; SMN2 2012/4885HTT 2459/4885NPSR1 235/4885

“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.