SCHEMBL412750

SCHEMBL412750

CN1CCN(Cc2cncc(-c3cc4ccccc4n3C)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB1 P11230 1/20 0.49
CHRNB2 P17787 1/20 0.49
CHRNB4 P30926 1/20 0.49
CHRNA3 P32297 1/20 0.49
CHRNB3 Q05901 1/20 0.49
KMT2A Q03164 1/20 0.47
CYP11B2 P19099 1/20 0.46
MC4R P32245 1/20 0.44
CHKA P35790 3/20 0.44
DRD4 P21917 6/20 0.44
DRD3 P35462 6/20 0.44
DRD2 P14416 5/20 0.44
GSK3B P49841 1/20 0.44
DYRK1A Q13627 1/20 0.44
APP P05067 1/20 0.40
AOC3 Q16853 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
NR4A2 P43354 1/20 0.39
DCTPP1 Q9H773 1/20 0.39

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
SCHEMBL1606405 0.85 GSK3B (0.44) CYP11B2MC4RCHKADRD4DRD3
SCHEMBL1605878 0.81 KMT2A (0.55) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL1606591 0.80 KMT2A (0.54) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL7679008 0.79 DRD2 (0.61) MC4RCHKADRD4DRD3DRD2
SCHEMBL410495 0.78 CHKA (0.42) KMT2ACYP11B2MC4RCHKADRD4
SCHEMBL1606281 0.78 PABPC1 (0.49) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL28106936 0.77 CYP11B2 (0.45) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL1606261 0.76 CHRNB1 (0.51) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL1605531 0.74 CYP11B2 (0.69) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL1605594 0.74 PRMT6 (0.45) KMT2ACYP11B2GSK3BDYRK1ADCTPP1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022078-A1 ARYL INDOLE DERIVATIVES MSD K.K. (JP) 2012-01-26 US claimed
EP-2448921-A1 ARYL INDOLE DERIVATIVES MSD K.K. (JP) 2012-05-09 EP disclosed
US-20120022078-A1 ARYL INDOLE DERIVATIVES MSD K.K. (JP) 2012-01-26 US disclosed
US-20120022078-A1 ARYL INDOLE DERIVATIVES MSD K.K. (JP) 2012-01-26 US disclosed
US-20120022078-A1 ARYL INDOLE DERIVATIVES MSD K.K. (JP) 2012-01-26 US disclosed
WO-2010117085-A1 ARYL INDOLE DERIVATIVES BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-10-14 WO disclosed
WO-2010117085-A1 ARYL INDOLE DERIVATIVES BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-10-14 WO 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-20120022078-A1 ARYL INDOLE DERIVATIVES IDO1, NAT1, IDO2 CHRNB1 1514/4885CHRNB2 2588/4885CHRNB4 3362/4885

“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.