SCHEMBL6895680

SCHEMBL6895680

CN1CCN(c2ccc3c(c2)nc2n3CCN3CCCCC3C2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.44
MAPT P10636 6/20 0.44
ALDH1A1 P00352 6/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
POLB P06746 1/20 0.43
GAA P10253 2/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GLA P06280 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
HRH4 Q9H3N8 1/20 0.37
HRH3 Q9Y5N1 2/20 0.37
HTR6 P50406 2/20 0.37
CASP1 P29466 1/20 0.37

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
SCHEMBL10298632 0.91 MAPT (0.49) KDM4EMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL16508306 0.87 MAPT (0.43) KDM4EMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL7885307 0.85 KDM4E (0.44) KDM4EMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL10298623 0.82 MAPT (0.47) KDM4EMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL16500495 0.82 MAPT (0.45) KDM4EMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL7879805 0.80 MAPT (0.50) KDM4EMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL6893826 0.80 MAPT (0.47) KDM4EMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL7891109 0.79 MAPT (0.52) KDM4EMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL10298624 0.79 MAPT (0.46) KDM4EMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL10298628 0.79 MAPT (0.46) KDM4EMAPTALDH1A1SMN1; 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-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-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-2011031818-A2 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2011-03-17 WO disclosed
WO-2011031816-A2 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2011-03-17 WO 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 KDM4E 1965/4885MAPT 951/4885ALDH1A1 2544/4885
US-20120172350-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 KDM4E 1965/4885MAPT 951/4885ALDH1A1 2544/4885

“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.