SCHEMBL418966

SCHEMBL418966

CC(C)(C)OC(=O)N1CCN(c2ccc3nc4n(c3c2)CCN(C2CCC2)CC4)CC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.50
OGFRL1 Q5TC84 3/20 0.50
OPRD1 P41143 2/20 0.50
CDK4 P11802 1/20 0.43
CCND1 P24385 1/20 0.43
CCND2 P30279 1/20 0.43
CCND3 P30281 1/20 0.43
OPRK1 P41145 2/20 0.42
GPR119 Q8TDV5 4/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
HRH3 Q9Y5N1 6/20 0.41
EGFR P00533 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
SCHEMBL7882120 0.94 OPRM1 (0.49) OPRM1OGFRL1OPRD1CDK4CCND1
SCHEMBL3792851 0.86 TMEM97 (0.40) ALDH1A1MAPTHRH3
SCHEMBL421387 0.84 ALDH1A1 (0.40) ALDH1A1MAPTHRH3
SCHEMBL421170 0.83 ALDH1A1 (0.42) ALDH1A1MAPTHRH3
SCHEMBL417641 0.83 SIGMAR1 (0.60) HRH3
SCHEMBL418967 0.82 MAPT (0.42) GPR119ALDH1A1LMNAMAPT
SCHEMBL422484 0.82 KDM4E (0.42) ALDH1A1MAPTHRH3
SCHEMBL417889 0.80 MAPT (0.50) OPRM1OGFRL1CDK4CCND1CCND2
SCHEMBL419518 0.79 KHK (0.38) CDK4ALDH1A1MAPTHRH3
SCHEMBL420850 0.79 HRH3 (0.39) OPRM1OGFRL1OPRD1OPRK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404670-B2 Histamine H3 inverse agonists and antagonists and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2013-03-26 US disclosed
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2012-01-26 US disclosed
US-8063032-B2 Histamine H3 inverse agonists and antagonists and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2011-11-22 US disclosed
US-20100204214-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2010-08-12 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-20100204214-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 OPRM1 234/4885OGFRL1 1812/4885OPRD1 246/4885
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 OPRM1 234/4885OGFRL1 1812/4885OPRD1 246/4885

“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.