SCHEMBL1587909

SCHEMBL1587909

CC(C)(C)OC(=O)N1CCN(c2ccnc(NC3CCCC3)c2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.64
NOS1 P29475 4/20 0.51
NOS2 P35228 4/20 0.51
NOS3 P29474 2/20 0.50
ALOX5 P09917 1/20 0.49
GPR119 Q8TDV5 3/20 0.47
SYK P43405 1/20 0.47
DDB1 Q16531 1/20 0.47
CRBN Q96SW2 1/20 0.47
ACHE P22303 1/20 0.47
ALDH1A1 P00352 3/20 0.47
EPHX1 P07099 1/20 0.46
MAPT P10636 2/20 0.46
WNT3A P56704 1/20 0.46
NPC1 O15118 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 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
SCHEMBL21464385 0.84 ACHE (0.50) GPR119DDB1CRBNACHEALDH1A1
SCHEMBL1588738 0.83 HRH4 (0.70) HRH4NOS1NOS2NOS3ALDH1A1
SCHEMBL20449715 0.82 NOS2 (0.74) NOS1NOS2NOS3GPR119SYK
SCHEMBL1580957 0.81 PRKD1 (0.55) GPR119SYK
SCHEMBL4068757 0.80 WNT3A (0.49) ALOX5GPR119SYKMAPTWNT3A
SCHEMBL7946234 0.80 PRKD1 (0.60) SYK
SCHEMBL12723496 0.80 PRKD1 (0.58) ALOX5SYK
SCHEMBL1592600 0.80 PRKD1 (0.58) ALOX5SYK
SCHEMBL1592002 0.79 PRKD1 (0.57) ALOX5SYK
SCHEMBL15820121 0.79 NOS2 (0.56) NOS1NOS2NOS3GPR119SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170298022-A1 Diamino-Pyridine, Pyrimidine, and Pyridazine Modulators of the Histamine H4 Receptor JANSSEN PHARMACEUTICA NV (BE) 2017-10-19 US disclosed
US-9732087-B2 Diamino-pyridine, pyrimidine, and pyridazine modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2017-08-15 US disclosed
US-20140357614-A1 Diamino-Pyridine, Pyrimidine, and Pyrazine Modulators of the Histamine H4 Receptor JANSSEN PHARMACEUTICA NV (BE) 2014-12-04 US disclosed
US-8841287-B2 Diamino-pyridine, pyrimidine, and pyrazine modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2014-09-23 US disclosed
EP-2315521-B1 DIAMINO-PYRIDINE, PYRIMIDINE, AND PYRIDAZINE MODULATORS OF THE HISTAMINE H 4 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2014-05-21 EP disclosed
US-20110092474-A1 Diamino-pyridine, pyrimidine, and pyrazine modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA NV 2011-04-21 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 (3 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-20170298022-A1 Diamino-Pyridine, Pyrimidine, and Pyridazine Modulators of the Histamine H4 Receptor HRH4, HRH3, HRH1 HRH4 1/4885NOS1 3363/4885NOS2 3389/4885
US-20110092474-A1 Diamino-pyridine, pyrimidine, and pyrazine modulators of the histamine H4 receptor HRH4, HRH3, HRH2 HRH4 1/4885NOS1 3341/4885NOS2 3350/4885
US-20140357614-A1 Diamino-Pyridine, Pyrimidine, and Pyrazine Modulators of the Histamine H4 Receptor HRH4, HRH3, HRH2 HRH4 1/4885NOS1 3341/4885NOS2 3350/4885

“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.