SCHEMBL659774

SCHEMBL659774

CC(CCc1ccccn1)c1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.50
ALDH1A1 P00352 2/20 0.50
CYP2C19 P33261 1/20 0.50
HRH3 Q9Y5N1 1/20 0.49
HRH1 P35367 2/20 0.48
LMNA P02545 2/20 0.47
TAAR1 Q96RJ0 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.43
CHRM2 P08172 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SCN1A P35498 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN3A Q9NY46 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL15728143 0.83 CHRM2 (0.40) CYP1A2ALDH1A1CYP2C19HRH3HRH1
SCHEMBL27556133 0.82 SLC6A2 (0.40) CYP1A2ALDH1A1CYP2C19HRH3HRH1
SCHEMBL10771160 0.81 HRH1 (0.57) CYP1A2ALDH1A1CYP2C19HRH3HRH1
SCHEMBL6938906 0.81 HRH1 (0.57) CYP1A2ALDH1A1CYP2C19HRH3HRH1
SCHEMBL574013 0.81 CYP1A2 (0.61) CYP1A2ALDH1A1CYP2C19HRH3HRH1
SCHEMBL30201139 0.81 CYP1A2 (0.61) CYP1A2ALDH1A1CYP2C19HRH3HRH1
SCHEMBL18598752 0.80 KCNA5 (0.35) CYP1A2ALDH1A1CYP2C19TSHRCHRM2
SCHEMBL25447692 0.79 TSHR (0.47) CYP1A2ALDH1A1CYP2C19HRH3HRH1
SCHEMBL16477945 0.79 KCNA5 (0.53) CYP1A2ALDH1A1HRH3HRH1LMNA
SCHEMBL1156021 0.79 KCNA5 (0.53) CYP1A2ALDH1A1HRH3HRH1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215762-A1 Siloxane polymer containing tethered levofloxacin NDSU RESEARCH FOUNDATION 2009-08-27 US claimed
US-8283432-B2 Siloxane polymer containing tethered fluoroquinolone NDSU RESEARCH FOUNDATION (US) 2012-10-09 US disclosed
US-8278400-B2 Antifouling materials containing cationic polysiloxanes NDSU RESEARCH FOUNDATION (US) 2012-10-02 US disclosed
US-20120046313-A1 SILOXANE POLYMER CONTAINING TETHERED FLUOROQUINOLONE NDSU RESEARCH FOUNDATION 2012-02-23 US disclosed
US-20100204399-A1 ANTIFOULING MATERIALS CONTAINING CATIONIC POLYSILOXANES NDSU RESEARCH FOUNDATION 2010-08-12 US disclosed
US-7771833-B2 Anti-fouling materials containing cationic polysiloxanes NDSU RESEARCH FOUNDATION (US) 2010-08-10 US disclosed
US-20090215762-A1 Siloxane polymer containing tethered levofloxacin NDSU RESEARCH FOUNDATION 2009-08-27 US disclosed
EP-1879972-A4 ANTI-FOULING MATERIALS CONTAINING POLYAMINE CROSS-LINKED POLYSILOXANES NDSU RES FOUNDATION (US) 2008-10-15 EP disclosed
EP-1879972-A1 ANTI-FOULING MATERIALS CONTAINING POLYAMINE CROSS-LINKED POLYSILOXANES NDSU Research Foundation (US) 2008-01-23 EP disclosed
US-20070042199-A1 Anti-fouling materials containing cationic polysiloxanes NDSU RESEARCH FOUNDATION 2007-02-22 US disclosed
WO-2006121937-A1 ANTI-FOULING MATERIALS CONTAINING POLYAMINE CROSS-LINKED POLYSILOXANES NDSU RESEARCH FOUNDATION (US) 2006-11-16 WO 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-20120046313-A1 SILOXANE POLYMER CONTAINING TETHERED FLUOROQUINOLONE QARS1, SEPTIN7, SMCHD1 CYP1A2 1124/4885ALDH1A1 3261/4885CYP2C19 422/4885
US-20090215762-A1 Siloxane polymer containing tethered levofloxacin PUF60, QARS1, SEPTIN7 CYP1A2 407/4885ALDH1A1 1791/4885CYP2C19 159/4885

“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.