SCHEMBL6893931

SCHEMBL6893931

c1ccc2c(c1)ncn2-c1ccc2c(c1)nc1n2CCN(C2CCC2)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.52
ALDH1A1 P00352 6/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
POLB P06746 1/20 0.52
KDM4E B2RXH2 6/20 0.49
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
MCL1 Q07820 1/20 0.48
HSD17B10 Q99714 1/20 0.48
GAA P10253 2/20 0.47
MEN1 O00255 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
RECQL P46063 1/20 0.42

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
SCHEMBL7886806 0.91 MAPT (0.41) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL6893767 0.85 MAPT (0.41) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL418959 0.83 FGFR1 (0.39) FGFR1HTTPIK3C3GABRPGABRD
SCHEMBL6893864 0.78 FGFR1 (0.40) FGFR1HTTPIK3C3GABRPGABRD
SCHEMBL10010617 0.76 MAPT (0.61) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL10298836 0.76 MAPT (0.61) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL10298601 0.76 MAPT (0.61) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL10012263 0.74 MAPT (0.61) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL10012113 0.73 MAPT (0.50) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL6896325 0.73 MAPT (0.57) MAPTALDH1A1SMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120172350-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2012-07-05 US disclosed
US-20120172350-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2012-07-05 US disclosed
US-20120172350-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2012-07-05 US disclosed
WO-2011031818-A2 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2011-03-17 WO disclosed
US-20110065694-A1 Histamine H3 Inverse Agonists and Antagonists and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. 2011-03-17 US disclosed
US-20110065694-A1 Histamine H3 Inverse Agonists and Antagonists and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. 2011-03-17 US disclosed
WO-2011031816-A2 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2011-03-17 WO disclosed
US-20110065694-A1 Histamine H3 Inverse Agonists and Antagonists and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. 2011-03-17 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-20110065694-A1 Histamine H3 Inverse Agonists and Antagonists and Methods of Use Thereof HRH3, HRH4, HRH2 MAPT 951/4885ALDH1A1 2544/4885SMN1; SMN2 1591/4885
US-20120172350-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 MAPT 951/4885ALDH1A1 2544/4885SMN1; SMN2 1591/4885

“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.