SCHEMBL418547

SCHEMBL418547

c1cnc2c(c1)ccn2-c1ccc2nc3n(c2c1)CCN(C1CCC1)CC3

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 1/20 0.35
HRH3 Q9Y5N1 9/20 0.34
ALDH1A1 P00352 4/20 0.33
MAPT P10636 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
POLB P06746 1/20 0.33
CHRNA7 P36544 2/20 0.33
HRH1 P35367 1/20 0.32
NPSR1 Q6W5P4 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KDM4E B2RXH2 3/20 0.32
CDC7 O00311 1/20 0.32
CDK2 P24941 1/20 0.32
GLA P06280 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL7881602 0.93 MAPT (0.40) KDM2BHRH3ALDH1A1MAPTSMN1; SMN2
SCHEMBL418959 0.79 FGFR1 (0.39) HRH3
SCHEMBL421387 0.79 ALDH1A1 (0.40) HRH3ALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL417681 0.79 HRH3 (0.53) HRH3ALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL418548 0.79 CDC7 (0.32) CDC7CDK2
SCHEMBL421170 0.78 ALDH1A1 (0.42) HRH3ALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL419554 0.78 HRH3 (0.44) HRH3
SCHEMBL420032 0.77 PGR (0.43) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL422382 0.77 HRH3 (0.41) KDM2BHRH3ALDH1A1MAPTSMN1; SMN2
SCHEMBL418406 0.75 MAPK8 (0.37) HRH3ALDH1A1MAPTSMN1; SMN2NPC1

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 KDM2B 1707/4885HRH3 1/4885ALDH1A1 2598/4885
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 KDM2B 1707/4885HRH3 1/4885ALDH1A1 2598/4885

“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.