SCHEMBL417992

SCHEMBL417992

CN(C)Cc1ccc2nc3n(c2c1)CCN(C1=CC=C1)CC3

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 7/20 0.36
KDM4E B2RXH2 1/20 0.32
S1PR1 P21453 1/20 0.31
POLB P06746 1/20 0.31
GRM2 Q14416 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
MAP4K1 Q92918 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
SCHEMBL419623 0.91 MEN1 (0.36) KDM4EGRM2RAB9AMAP4K1
SCHEMBL419604 0.82 HRH3 (0.38) POLBNPC1RAB9A
SCHEMBL422485 0.80 KDM4E (0.44) KDM4ENPC1RAB9A
SCHEMBL422759 0.79 NOS3 (0.31)
SCHEMBL421303 0.79 KDM4E (0.40) KDM4ENPC1RAB9A
SCHEMBL421612 0.79 ACHE (0.36) KDM4EPOLBGRM2NPC1RAB9A
SCHEMBL419341 0.78 ACSS2 (0.37) POLBNPC1RAB9A
SCHEMBL420833 0.76 MEN1 (0.38) POLBGRM2RAB9A
SCHEMBL419888 0.76 HRH3 (0.36) GRM2
SCHEMBL417927 0.76 MAPK1 (0.31) RAB9A

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 PDE2A 1979/4885KDM4E 1889/4885S1PR1 804/4885
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 PDE2A 1979/4885KDM4E 1889/4885S1PR1 804/4885

“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.