SCHEMBL17488161

SCHEMBL17488161

COC(c1ccc(CN)cc1)c1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 7/20 0.45
SLC6A2 P23975 7/20 0.45
SLC6A4 P31645 7/20 0.45
CHRM2 P08172 6/20 0.45
KCNH2 Q12809 6/20 0.45
HRH1 P35367 5/20 0.45
HRH3 Q9Y5N1 5/20 0.45
ADRA2B P18089 4/20 0.45
LMNA P02545 3/20 0.45
CYP2D6 P10635 3/20 0.45
CYP2C19 P33261 1/20 0.45
ADRB2 P07550 1/20 0.41
TSHR P16473 4/20 0.38
POLB P06746 1/20 0.38
ADRA2A P08913 2/20 0.38
CYP2C9 P11712 2/20 0.38
ADRA1A P35348 2/20 0.38
OPRK1 P41145 2/20 0.38
HIF1A Q16665 2/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL15705100 0.82 SLC6A2 (0.57) SLC6A3SLC6A2SLC6A4CHRM2KCNH2
SCHEMBL12925888 0.81 SLC6A3 (0.49) SLC6A3SLC6A2SLC6A4CHRM2KCNH2
SCHEMBL15866163 0.78 SLC6A3 (0.48) SLC6A3SLC6A2SLC6A4CHRM2KCNH2
SCHEMBL17488166 0.76 SLC6A3 (0.42) SLC6A3SLC6A2SLC6A4CHRM2KCNH2
SCHEMBL2653867 0.76 FGFR1 (0.41) KDM4EALDH1A1
SCHEMBL10363174 0.73 CHRM2 (0.46) SLC6A3SLC6A2SLC6A4CHRM2KCNH2
SCHEMBL6088543 0.73 SLC6A3 (0.42) SLC6A3SLC6A2SLC6A4CHRM2KCNH2
SCHEMBL10363180 0.72 SLC6A3 (0.40) SLC6A3SLC6A2SLC6A4CHRM2KCNH2
SCHEMBL10363179 0.72 SLC6A2 (0.40) SLC6A3SLC6A2SLC6A4CHRM2KCNH2
SCHEMBL17169073 0.71 SLC6A2 (0.52) SLC6A3SLC6A2SLC6A4CHRM2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170166563-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS INSTITUT PASTEUR KOREA (KR) 2017-06-15 US disclosed
US-20170166563-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS INSTITUT PASTEUR KOREA (KR) 2017-06-15 US disclosed
WO-2016016421-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS INSTITUT PASTEUR KOREA (KR) 2016-02-04 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 (1 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-20170166563-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS ALOX5, ALOX15, ALOX12 SLC6A3 3721/4885SLC6A2 4032/4885SLC6A4 2954/4885

“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.