SCHEMBL420032

SCHEMBL420032

c1cn(-c2ccc3nc4n(c3c2)CCN(C2CCC2)CC4)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.39
OGG1 O15527 1/20 0.37
CYP19A1 P11511 2/20 0.37
CYP11B1 P15538 2/20 0.37
CYP11B2 P19099 2/20 0.37
ALDH1A1 P00352 4/20 0.36
MAPT P10636 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
KDM4E B2RXH2 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MAOA P21397 6/20 0.36
MAOB P27338 6/20 0.36
CRBN Q96SW2 2/20 0.36
TBXAS1 P24557 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.35

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
SCHEMBL7879796 0.93 MAPT (0.43) PGRNCOA3OGG1CYP19A1CYP11B1
SCHEMBL421387 0.83 ALDH1A1 (0.40) ALDH1A1MAPTSMN1; SMN2KDM4ENPC1
SCHEMBL421170 0.82 ALDH1A1 (0.42) ALDH1A1MAPTSMN1; SMN2KDM4ENPC1
SCHEMBL417681 0.81 HRH3 (0.53) ALDH1A1MAPTSMN1; SMN2KDM4ENPC1
SCHEMBL6896185 0.79 PGR (0.43) PGRNCOA3OGG1CYP19A1CYP11B1
SCHEMBL422484 0.78 KDM4E (0.42) ALDH1A1MAPTSMN1; SMN2KDM4ENPC1
SCHEMBL421939 0.78 OPRM1 (0.41) ALDH1A1MAPTSMN1; SMN2KDM4ENPC1
SCHEMBL420442 0.78 KDM2B (0.40) ALDH1A1MAPTSMN1; SMN2KDM4ENPC1
SCHEMBL420850 0.77 HRH3 (0.39) CYP11B2ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL418959 0.77 FGFR1 (0.39)

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 PGR 1951/4885NCOA3 2116/4885OGG1 4759/4885
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 PGR 1951/4885NCOA3 2116/4885OGG1 4759/4885

“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.