SCHEMBL418696

SCHEMBL418696

COc1ccnc(OCc2ccc3c(c2)nc2n3CCN(C3=CC=C3)CC2)n1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXRA P19793 5/20 0.34
GRIN1 Q05586 5/20 0.34
GRIN2B Q13224 5/20 0.34
TP53 P04637 5/20 0.34
MAPT P10636 1/20 0.32
GRM2 Q14416 2/20 0.32
LMNA P02545 2/20 0.32
NTRK1 P04629 1/20 0.31
CSF1R P07333 1/20 0.31
NTRK2 Q16620 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
MCHR1 Q99705 1/20 0.30

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
SCHEMBL421168 0.93 RXRA (0.34) RXRAGRIN1GRIN2BGRM2
SCHEMBL422605 0.85 TP53 (0.33) TP53MAPTGRM2LMNAMEN1
SCHEMBL418695 0.81 HRH3 (0.39) RXRAGRIN1GRIN2BTP53MAPT
SCHEMBL422495 0.79 BRD4 (0.35) TP53MAPTLMNAMEN1KMT2A
SCHEMBL420833 0.76 MEN1 (0.38) TP53MAPTGRM2LMNAMEN1
SCHEMBL420956 0.76 GRM2 (0.35) TP53GRM2MEN1KMT2A
SCHEMBL419623 0.76 MEN1 (0.36) TP53MAPTGRM2LMNAMEN1
SCHEMBL421167 0.75 HRH3 (0.37) RXRAGRIN1GRIN2BMAPTNTRK1
SCHEMBL421261 0.74 CDK4 (0.35)
SCHEMBL419693 0.74 MEN1 (0.41) TP53MAPTLMNAMEN1KMT2A

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 RXRA 2191/4885GRIN1 38/4885GRIN2B 57/4885
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 RXRA 2191/4885GRIN1 38/4885GRIN2B 57/4885

“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.