SCHEMBL1103773

SCHEMBL1103773

c1cc2ccc1CNCCN1CCNCc3ccc(cc3)CNCCN(CCNC2)CCNCc2ccc(cc2)CNCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 2/20 0.43
TERT O14746 2/20 0.38
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HTR2C P28335 4/20 0.35
HTR3E A5X5Y0 3/20 0.34
HTR3B O95264 3/20 0.34
HTR3A P46098 3/20 0.34
HTR3D Q70Z44 3/20 0.34
HTR3C Q8WXA8 3/20 0.34
SIGMAR1 Q99720 3/20 0.34
ADRB1 P08588 3/20 0.34
HTR2A P28223 2/20 0.34
CYP2D6 P10635 2/20 0.33
CYP19A1 P11511 1/20 0.33
NCF1 P14598 2/20 0.32
CXCR4 P61073 1/20 0.32
HTR2B P41595 1/20 0.32
CYP1A2 P05177 1/20 0.32
HTR1A P08908 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
SCHEMBL13933214 0.91 APEX1 (0.38) APEX1TERTMEN1KMT2AHTR2C
SCHEMBL1106631 0.87 APEX1 (0.35) APEX1TERTHTR2CHTR3EHTR3B
SCHEMBL13493197 0.85 HTR2C (0.36) APEX1TERTHTR2CHTR2AHTR2B
SCHEMBL13908254 0.82 APEX1 (0.32) APEX1HTR3A
SCHEMBL1103779 0.81 APEX1 (0.32) APEX1HTR2C
SCHEMBL15267971 0.80 APEX1 (0.40) APEX1TERTHTR2CHTR3EHTR3B
SCHEMBL179204 0.77 APEX1 (0.64) APEX1TERTHTR2CCXCR4
SCHEMBL13044284 0.77 APEX1 (0.38) APEX1TERTMEN1KMT2ASIGMAR1
SCHEMBL27351093 0.72 APEX1 (0.46) APEX1TERTMEN1KMT2AHTR2C
SCHEMBL13830412 0.72 APEX1 (0.52) APEX1TERTMEN1KMT2ACXCR4

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8222239-B2 quaternary ammonium compounds, conjugated to polymers, used as microbiocides ALLACCEM, INC. (US) 2012-07-17 US disclosed
US-8188068-B2 Bridged polycyclic compound based compositions for coating oral surfaces in pets ALLACCEM, INC. (US) 2012-05-29 US disclosed
US-8188068-B2 Bridged polycyclic compound based compositions for coating oral surfaces in pets ALLACCEM, INC. (US) 2012-05-29 US disclosed
US-8153617-B2 Bridged polycyclic compound based compositions for coating oral surfaces in humans ALLACCEM, INC. (US) 2012-04-10 US disclosed
US-8153617-B2 Bridged polycyclic compound based compositions for coating oral surfaces in humans ALLACCEM, INC. (US) 2012-04-10 US disclosed
US-8153618-B2 Bridged polycyclic compound based compositions for topical applications for pets ALLACCEM, INC. (US) 2012-04-10 US disclosed
US-8153618-B2 Bridged polycyclic compound based compositions for topical applications for pets ALLACCEM, INC. (US) 2012-04-10 US disclosed
US-7713955-B2 Applying to a surface one or more bridged polycyclic compounds comprising at least two cyclic groups defined in part by quaternary ammonium moieties; microbiocides; self-cleaning ALLACCEM, INC. (US) 2010-05-11 US disclosed
WO-2010019611-A2 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR TOPICAL AND ORAL APPLICATIONS ALLACCEM, INCORPORATED (US) 2010-02-18 WO disclosed
US-20100016270-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR CONTROLLING CHOLESTEROL LEVELS ALLACCEM, INC. 2010-01-21 US disclosed
US-20090074833-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR CONTROLLING BONE RESORPTION ALLACCEM, INC. 2009-03-19 US disclosed
US-20090074833-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR CONTROLLING BONE RESORPTION ALLACCEM, INC. 2009-03-19 US disclosed
US-20090069435-A1 Bridged polycyclic compound based compositions for topical applications for pets ALLACCEM, INC. 2009-03-12 US disclosed
US-20090069435-A1 Bridged polycyclic compound based compositions for topical applications for pets ALLACCEM, INC. 2009-03-12 US disclosed
US-20090054528-A1 Bridged polycyclic compound based compositions for coating oral surfaces in pets ALLACCEM, INC. 2009-02-26 US disclosed
US-20090054528-A1 Bridged polycyclic compound based compositions for coating oral surfaces in pets ALLACCEM, INC. 2009-02-26 US disclosed
US-20080207581-A1 Applying to a surface one or more bridged polycyclic compounds comprising at least two cyclic groups defined in part by quaternary ammonium moieties; microbiocides; self-cleaning ALLACCEM, INC. 2008-08-28 US disclosed
US-20080020127-A1 Methods and systems for coating a medical device ALLACCEM, INC. 2008-01-24 US disclosed
US-20080021212-A1 Methods and systems for preparing an antimicrobial composition ALLACCEM, INC. 2008-01-24 US disclosed
US-20070202342-A1 Applying to an oral surface (teeth or gums)one or more bridged polycyclic compounds comprising at least two cyclic groups defined in part by quaternary ammonium moieties; microbiocides; self-cleaning; dentistry; bonding agents, resin cements, sealants ALLACCEM, INC. 2007-08-30 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 (6 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-20090069435-A1 Bridged polycyclic compound based compositions for topical applications for pets OTC, SLC16A8, SLC16A7 APEX1 1743/4885TERT 2810/4885MEN1 1095/4885
US-20090054528-A1 Bridged polycyclic compound based compositions for coating oral surfaces in pets PAICS, SLC16A8, CAD APEX1 2744/4885TERT 2645/4885MEN1 1262/4885
US-20100016270-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR CONTROLLING CHOLESTEROL LEVELS PCSK9, HMGCR, CETP APEX1 2979/4885TERT 974/4885MEN1 766/4885
US-20080021212-A1 Methods and systems for preparing an antimicrobial composition DNMT1, TET2, POLR1C APEX1 46/4885TERT 229/4885MEN1 2952/4885
US-20080207581-A1 Applying to a surface one or more bridged polycyclic compounds comprising at least two cyclic groups defined in part by quaternary ammonium moieties; microbiocides; self-cleaning DNMT1, TET2, CD14 APEX1 170/4885TERT 1121/4885MEN1 3302/4885
US-20090074833-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR CONTROLLING BONE RESORPTION BMP2, BMP1, BMP6 APEX1 3901/4885TERT 919/4885MEN1 2064/4885

“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.