SCHEMBL625953

SCHEMBL625953

NCCc1ccc(C2=CCCCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.46
TAAR1 Q96RJ0 7/20 0.42
CYP2A6 P11509 2/20 0.42
HTR2A P28223 2/20 0.42
CYP1A2 P05177 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
SLC6A2 P23975 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTR3A P46098 1/20 0.42
BACE1 P56817 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ACMSD Q8TDX5 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40

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
SCHEMBL26033464 0.84 HRH3 (0.52) TAAR1ACMSDLOXL2
SCHEMBL10793933 0.81 ACMSD (0.53) ALDH1A1ACMSDKMT2ATDP1
SCHEMBL18905499 0.81 ACMSD (0.41) ACMSDKMT2ATDP1
SCHEMBL2643410 0.79 ACMSD (0.46) TAAR1ALDH1A1ACMSDKMT2ATDP1
SCHEMBL18905430 0.78 ACMSD (0.40) ALDH1A1ACMSDKMT2ATDP1
SCHEMBL34460174 0.78 ACMSD (0.45) ALDH1A1BACE1ACMSDKMT2ATDP1
SCHEMBL18905445 0.77 ACMSD (0.39) ACMSDKMT2A
SCHEMBL8885877 0.76 ACMSD (0.44) ALDH1A1ACMSDKMT2ATDP1
SCHEMBL11862219 0.76 ACMSD (0.47) ACMSDKMT2ATDP1
SCHEMBL18724371 0.76 ACMSD (0.44) ACMSDKMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957507-B1 ANTIBACTERIAL 4,5-SUBSTITUTED AMINOGLYCOSIDE ANALOGS HAVING MULTIPLE SUBSTITUENTS IONIS PHARMACEUTICALS INC (US) 2018-10-24 EP disclosed
US-8569264-B2 Antibacterial 4,5-substituted aminoglycoside analogs having multiple substituents ISIS PHARMACEUTICALS, INC. (US) 2013-10-29 US disclosed
US-20130005674-A1 ANTIBACTERIAL 4,5-SUBSTITUTED AMINOGLYCOSIDE ANALOGS HAVING MULTIPLE SUBSTITUENTS ISIS PHARMACEUTICALS, INC. (US) 2013-01-03 US disclosed
US-8114856-B2 Antibacterial 4,5-substituted aminoglycoside analogs having multiple substituents ISIS PHARMACEUTICALS, INC. (US) 2012-02-14 US disclosed
US-20110166334-A1 ANTIBACTERIAL 4,5-SUBSTITUTED AMINOGLYCOSIDE ANALOGS HAVING MULTIPLE SUBSTITUENTS ISIS PHARMACEUTICALS,INC. (US) 2011-07-07 US disclosed
US-7893039-B2 Antibacterial 4,5-substituted aminoglycoside analogs having multiple substituents ISIS PHARMACEUTICALS, INC. (US) 2011-02-22 US disclosed
US-20080293649-A1 ANTIBACTERIAL 4,5-SUBSTITUTED AMINOGLYCOSIDE ANALOGS HAVING MULTIPLE SUBSTITUENTS ISIS PHARMACEUTICALS, INC. (US) 2008-11-27 US disclosed
EP-1957507-A2 ANTIBACTERIAL 4,5-SUBSTITUTED AMINOGLYCOSIDE ANALOGS HAVING MULTIPLE SUBSTITUENTS Isis Pharmaceuticals, Inc. (US) 2008-08-20 EP disclosed
WO-2007064954-A2 ANTIBACTERIAL 4,5-SUBSTITUTED AMINOGLYCOSIDE ANALOGS HAVING MULTIPLE SUBSTITUENTS ISIS PHARMACEUTICALS, INC. (US) 2007-06-07 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 (3 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-20110166334-A1 ANTIBACTERIAL 4,5-SUBSTITUTED AMINOGLYCOSIDE ANALOGS HAVING MULTIPLE SUBSTITUENTS ALG8, MRPL21, AADAC MAOB 2925/4885TAAR1 4813/4885CYP2A6 1438/4885
US-20080293649-A1 ANTIBACTERIAL 4,5-SUBSTITUTED AMINOGLYCOSIDE ANALOGS HAVING MULTIPLE SUBSTITUENTS ALG8, MRPL21, AADAC MAOB 2925/4885TAAR1 4813/4885CYP2A6 1438/4885
US-20130005674-A1 ANTIBACTERIAL 4,5-SUBSTITUTED AMINOGLYCOSIDE ANALOGS HAVING MULTIPLE SUBSTITUENTS ALG8, MRPL21, AADAC MAOB 2925/4885TAAR1 4813/4885CYP2A6 1438/4885

“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.