SCHEMBL422605

SCHEMBL422605

COc1ccnc(Oc2ccc3c(c2)nc2n3CCN(C3=CC=C3)CC2)n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.33
LMNA P02545 1/20 0.33
BACE1 P56817 1/20 0.32
BACE2 Q9Y5Z0 1/20 0.32
GRM2 Q14416 2/20 0.31
MMP14 P50281 1/20 0.31
ADAMTS5 Q9UNA0 1/20 0.31
USP2 O75604 4/20 0.31
ALDH1A1 P00352 4/20 0.31
HSD17B10 Q99714 4/20 0.31
KDM4E B2RXH2 2/20 0.31
RAB9A P51151 2/20 0.31
MEN1 O00255 2/20 0.31
HPGD P15428 2/20 0.31
KMT2A Q03164 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
MAPT P10636 3/20 0.30
MAPK1 P28482 2/20 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
SCHEMBL418696 0.85 RXRA (0.34) TP53LMNAGRM2MEN1KMT2A
SCHEMBL422495 0.81 BRD4 (0.35) TP53LMNABACE1BACE2USP2
SCHEMBL419338 0.80 HRH3 (0.39) TP53KDM4ERAB9AMEN1KMT2A
SCHEMBL421168 0.80 RXRA (0.34) GRM2
SCHEMBL422604 0.80 HRH3 (0.46) TP53ALDH1A1KDM4ERAB9AMEN1
SCHEMBL418313 0.72 HRH3 (0.39) KDM4ERAB9AKMT2ASMN1; SMN2NPC1
SCHEMBL7886822 0.72 HRH3 (0.46)
SCHEMBL422621 0.72 PIK3CA (0.38) TP53GRM2ALDH1A1RAB9AMEN1
SCHEMBL420411 0.72 RAB9A (0.40) TP53LMNAALDH1A1RAB9AMEN1
SCHEMBL420460 0.72 KDM4E (0.38) TP53ALDH1A1HSD17B10KDM4ERAB9A

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 TP53 4740/4885LMNA 4701/4885BACE1 655/4885
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 TP53 4740/4885LMNA 4701/4885BACE1 655/4885

“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.