SCHEMBL421940

SCHEMBL421940

C1=CC(N2CCc3nc4ccc(N5CCNCC5)cc4n3CC2)=C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 3/20 0.37
HTR3B O95264 3/20 0.37
HTR3A P46098 3/20 0.37
HTR3D Q70Z44 3/20 0.37
HTR3C Q8WXA8 3/20 0.37
SIGMAR1 Q99720 3/20 0.37
HTR5A P47898 1/20 0.37
ADRB1 P08588 6/20 0.35
KHK P50053 3/20 0.34
OPRL1 P41146 1/20 0.34
LCK P06239 1/20 0.34
HTR1A P08908 3/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
CETP P11597 1/20 0.33
HTR7 P34969 2/20 0.32
HTR2B P41595 2/20 0.32
HTR6 P50406 2/20 0.32
CDK1 P06493 1/20 0.32
CDK4 P11802 1/20 0.32

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
SCHEMBL422485 0.87 KDM4E (0.44) HTR3AKHKLCKHTT
SCHEMBL419519 0.84 KHK (0.39) KHK
SCHEMBL3792855 0.84 TSHR (0.36) HTR6TP53CYP3A4HTT
SCHEMBL421388 0.83 ALDH1A1 (0.35) SIGMAR1KHKHTR6CYP3A4CYP2D6
SCHEMBL421171 0.83 ALDH1A1 (0.37) KHKHTR6CYP3A4CYP2D6CYP2C9
SCHEMBL418679 0.82 BRD4 (0.35) SIGMAR1HTR1AHTR7HTR6HTR2A
SCHEMBL420265 0.81 IP6K1 (0.41)
SCHEMBL420851 0.80 AOC3 (0.33) KHKOPRL1TP53
SCHEMBL419061 0.80 MAPT (0.36) HTT
SCHEMBL421612 0.80 ACHE (0.36) HTR3EHTR3BHTR3AHTR3DHTR3C

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 HTR3E 67/4885HTR3B 43/4885HTR3A 49/4885
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 HTR3E 67/4885HTR3B 43/4885HTR3A 49/4885

“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.