SCHEMBL420294

SCHEMBL420294

N#Cc1ccc(-c2cc(C3CNC3)c3nc4n(c3c2)CCNCC4)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.37
HRH4 Q9H3N8 2/20 0.37
CHRNA1 P02708 1/20 0.36
CHRNG P07510 1/20 0.36
CHRNB1 P11230 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
CHRND Q07001 1/20 0.36
HTR2A P28223 3/20 0.35
HTR2C P28335 3/20 0.35
HTR2B P41595 2/20 0.35
EGLN2 Q96KS0 1/20 0.35
HRH2 P25021 3/20 0.34
HRH1 P35367 3/20 0.34
HTR6 P50406 1/20 0.32
USP30 Q70CQ3 4/20 0.32
CDK4 P11802 1/20 0.32
CCND3 P30281 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
SCHEMBL420030 0.78 HRH3 (0.42) HRH3HRH4HTR2AHTR2CHTR2B
SCHEMBL420350 0.77 HTR2A (0.33) CHRNB2CHRNB4CHRNA3CHRNA4HTR2A
SCHEMBL7886351 0.76 HRH3 (0.42) HRH3HRH4HTR2AHTR2CHTR2B
SCHEMBL420106 0.69
SCHEMBL6712379 0.69 HTR2A (0.56) HRH3HRH4HTR2AHTR2CEGLN2
SCHEMBL6714225 0.66 HTR2A (0.56) HRH3HRH4HTR2AHTR2CEGLN2
SCHEMBL24991111 0.63 HRH3 (0.51) HRH3CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL13259124 0.61 HRH4 (0.50) HRH3HRH4HTR2AHTR2CHTR6
SCHEMBL418705 0.61 ERAP1 (0.33) HRH3HRH4HTR2AHTR2CHRH1
SCHEMBL420920 0.60 HRH3 (0.42) HRH3EGLN2

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 HRH3 1/4885HRH4 2/4885CHRNA1 23/4885
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 HRH3 1/4885HRH4 2/4885CHRNA1 23/4885

“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.