Sugi Predict

Sugi Predict / Compounds / SCHEMBL422755

SCHEMBL422755

SCHEMBL422755

N#Cc1ccc(-c2ccc3c(c2)nc2n3CCN(C3=CC=C3)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 5/20 0.39
▸ GRM2 Q14416 1/20 0.37
▸ PGR P06401 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ HRH3 Q9Y5N1 3/20 0.33
▸ SCN7A Q01118 2/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ ADRA2A P08913 1/20 0.33
▸ ADRA2C P18825 1/20 0.33
▸ HTR1D P28221 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ HTR7 P34969 1/20 0.33
▸ CHEK1 O14757 1/20 0.32
▸ MMP14 P50281 1/20 0.32
▸ ADAMTS5 Q9UNA0 1/20 0.32
▸ TACR3 P29371 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
SCHEMBL419641 0.91 HRH4 (0.37) HRH4GRM2PGRMEN1KMT2A
SCHEMBL417644 0.91 GRM2 (0.38) GRM2MEN1KMT2AMAPK1RAB9A
SCHEMBL417602 0.89 CYP11B2 (0.39) GRM2MEN1KMT2AMAPK1RAB9A
SCHEMBL421309 0.85 CYP11B1 (0.39) —
SCHEMBL420295 0.84 MAP4K1 (0.39) HRH4PGRHRH3HTR1AADRA2A
SCHEMBL419888 0.84 HRH3 (0.36) GRM2HRH3
SCHEMBL420667 0.83 MEN1 (0.36) GRM2MEN1KMT2AMAPK1RAB9A
SCHEMBL422695 0.82 GRM2 (0.39) HRH4GRM2MEN1KMT2ARAB9A
SCHEMBL421682 0.82 CYP3A4 (0.40) GRM2HRH3SCN7AKCNH2
SCHEMBL13259124 0.81 HRH4 (0.50) HRH4GRM2MEN1KMT2AHRH3

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 HRH4 2/4885GRM2 65/4885PGR 1951/4885
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 HRH4 2/4885GRM2 65/4885PGR 1951/4885

“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.