SCHEMBL13173151

SCHEMBL13173151

Cc1nc(OCC(=O)N(C)C2CCN(CC3CC3)CC2)nc(C)c1C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
ALDH1A1 P00352 1/20 0.37
NPC1 O15118 2/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CHRM4 P08173 1/20 0.33
MCHR1 Q99705 1/20 0.33
LTA4H P09960 1/20 0.33
CCR5 P51681 3/20 0.33
LMNA P02545 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33

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
SCHEMBL13173106 0.94 ALDH1A1 (0.42) POLBMEN1KMT2ANPSR1ALDH1A1
SCHEMBL2846367 0.91 POLB (0.38) POLBMEN1KMT2ANPSR1ALDH1A1
SCHEMBL2846407 0.86 MEN1 (0.41) POLBMEN1KMT2ANPSR1ALDH1A1
SCHEMBL13173111 0.85 CCR5 (0.39) POLBMEN1KMT2ANPSR1ALDH1A1
SCHEMBL13173131 0.84 POLB (0.40) POLBMEN1KMT2ANPSR1ALDH1A1
SCHEMBL13173143 0.84 KMT2A (0.38) POLBMEN1KMT2ANPSR1ALDH1A1
SCHEMBL13173120 0.83 POLB (0.40) POLBMEN1KMT2ANPSR1ALDH1A1
SCHEMBL2845299 0.83 DRD2 (0.37) POLBMEN1KMT2ANPSR1ALDH1A1
SCHEMBL2845295 0.81 POLB (0.38) POLBL3MBTL1MCHR1CCR5PIK3CD
SCHEMBL13173102 0.81 KCNH2 (0.53) POLBMEN1KMT2AALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139559-B2 Nitrogen-containing six-membered aromatic ring derivatives and pharmaceutical products containing the same DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-09-22 US disclosed
US-20140221409-A1 NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-08-07 US disclosed
US-20120258978-A1 NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-10-11 US 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 (2 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-20120258978-A1 NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME NGF, VEGFA, BDNF POLB 1778/4885MEN1 4143/4885KMT2A 4167/4885
US-20140221409-A1 NITROGEN-CONTAINING SIX-MEMBERED AROMATIC RING DERIVATIVES AND PHARMACEUTICAL PRODUCTS CONTAINING THE SAME NGF, VEGFA, NRP1 POLB 1258/4885MEN1 4279/4885KMT2A 4113/4885

“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.