SCHEMBL419577

SCHEMBL419577

c1cnc(Nc2ccc3nc4n(c3c2)CCN(C2CCC2)CC4)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.39
KDM4E B2RXH2 7/20 0.38
MAPT P10636 6/20 0.38
ALDH1A1 P00352 5/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
GAA P10253 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
MCL1 Q07820 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CDK4 P11802 2/20 0.34

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
SCHEMBL7886322 0.92 KDM4E (0.46) HRH3KDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL421059 0.81 HRH3 (0.41) HRH3KDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL421260 0.79 KDM4E (0.38) KDM4EMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL418312 0.78 HRH3 (0.63) HRH3
SCHEMBL419578 0.78 HRH3 (0.33) HRH3PARP14
SCHEMBL420448 0.77 HRH3 (0.46) HRH3KDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL420024 0.76 KDM2B (0.43) HRH3CYP3A4CYP2C9CYP11B2
SCHEMBL422799 0.75 MAPT (0.41) HRH3KDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL420442 0.75 KDM2B (0.40) HRH3KDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL422625 0.74 CSF1R (0.45) HRH3KDM4EMAPTALDH1A1SMN1; SMN2

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 HRH3 1/4885KDM4E 1889/4885MAPT 738/4885
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 HRH3 1/4885KDM4E 1889/4885MAPT 738/4885

“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.