SCHEMBL2760083

SCHEMBL2760083

CCN1CCc2nc[nH]c2C1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.42
HRH3 Q9Y5N1 5/20 0.41
HRH4 Q9H3N8 3/20 0.41
HTR7 P34969 1/20 0.41
RAD52 P43351 1/20 0.41
RECQL P46063 1/20 0.41
HRH2 P25021 1/20 0.37
S1PR1 P21453 1/20 0.36
GRM5 P41594 1/20 0.36
CD44 P16070 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PNMT P11086 1/20 0.34
LMNA P02545 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
NAMPT P43490 1/20 0.34

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
SCHEMBL12788182 0.86 HRH3 (0.39) AKT1HRH3HRH4RAD52RECQL
SCHEMBL13563260 0.84 HRH3 (0.33) AKT1HRH3HRH4HTR7
SCHEMBL22214072 0.78 GRIA1 (0.39) HRH3RAD52RECQLPNMT
SCHEMBL11995146 0.77 AKT1 (0.44) AKT1HRH3HRH4HTR7S1PR1
SCHEMBL20214121 0.76 KDM4E (0.49) AKT1HRH3RECQLCD44PNMT
SCHEMBL20214115 0.74 HRH3 (0.47) HRH3HTR7
SCHEMBL10296103 0.73 NAMPT (0.45) AKT1HRH3HRH4GRM5NAMPT
SCHEMBL13937959 0.72 AKT1 (0.45) AKT1HRH3HRH4HTR7S1PR1
SCHEMBL2736027 0.72 HRH4 (0.44) AKT1HRH3HRH4HTR7HRH2
SCHEMBL20214408 0.72 HTR7 (0.37) AKT1HRH3HRH4HTR7HRH2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120301426-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-11-29 US disclosed
US-8088770-B2 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
US-20110178062-A1 INDOLE AND BENZOTHIOPHENE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2011-07-21 US disclosed
US-20100310500-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-12-09 US disclosed
US-20090181902-A1 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES,INC. (US) 2009-07-16 US disclosed
US-7485641-B2 Substituted 3-amino-pyrrolidino-4-lactams PFIZER, INC. (US) 2009-02-03 US disclosed
US-20070299076-A1 Substituted 3-Amino-Pyrrolidino-4-Lactams PFIZER INC 2007-12-27 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 (5 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-20090181902-A1 Modulators of pharmacokinetic properties of therapeutics SLC10A1, SLC10A2, SLC26A4 AKT1 3427/4885HRH3 2433/4885HRH4 1120/4885
US-20110178062-A1 INDOLE AND BENZOTHIOPHENE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR HRH3, HRH4, HRH1 AKT1 3236/4885HRH3 1/4885HRH4 2/4885
US-20100310500-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS HDAC1, HDAC5, HDAC7 AKT1 2166/4885HRH3 347/4885HRH4 574/4885
US-20120301426-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS HDAC1, HDAC5, HDAC7 AKT1 2166/4885HRH3 347/4885HRH4 574/4885
US-20070299076-A1 Substituted 3-Amino-Pyrrolidino-4-Lactams PRMT1, PRMT7, PRMT3 AKT1 269/4885HRH3 944/4885HRH4 738/4885

“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.