SCHEMBL417895

SCHEMBL417895

c1cc2nc3n(c2cc1N1CCN(C2CCOC2)CC1)CCN(C1CCC1)CC3

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
OPRL1 P41146 1/20 0.35
ALDH1A1 P00352 5/20 0.35
MAPT P10636 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
POLB P06746 1/20 0.35
DRD3 P35462 2/20 0.34
DRD2 P14416 1/20 0.34
HTR6 P50406 1/20 0.34
KDM4E B2RXH2 4/20 0.33
SYK P43405 1/20 0.33
ACVR1 Q04771 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
HPGD P15428 2/20 0.32

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
SCHEMBL420850 0.95 HRH3 (0.39) HRH3OPRM1OPRD1OPRK1OPRL1
SCHEMBL7887011 0.93 MAPT (0.41) HRH3OPRM1OPRD1OPRK1OPRL1
SCHEMBL421387 0.90 ALDH1A1 (0.40) HRH3ALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL421170 0.89 ALDH1A1 (0.42) HRH3ALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL7890038 0.87 MAPT (0.43) HRH3OPRM1OPRD1OPRK1OPRL1
SCHEMBL422484 0.85 KDM4E (0.42) HRH3ALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL421939 0.83 OPRM1 (0.41) HRH3OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL419518 0.82 KHK (0.38) HRH3ALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL7887720 0.82 MAPT (0.48) HRH3ALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL420851 0.82 AOC3 (0.33) HRH3OPRM1OPRD1OPRK1OPRL1

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-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
EP-2396327-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF Sunovion Pharmaceuticals Inc. (US) 2011-12-21 EP disclosed
US-8063032-B2 Histamine H3 inverse agonists and antagonists and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2011-11-22 US disclosed
WO-2010093425-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2010-08-19 WO 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 HRH3 1/4885OPRM1 234/4885OPRD1 246/4885
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 HRH3 1/4885OPRM1 234/4885OPRD1 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.