SCHEMBL2686352

SCHEMBL2686352

Cc1cc(-c2cc(OCCN(C)C)cc([N+](=O)[O-])c2)ccn1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.55
CHRNA4 P43681 2/20 0.55
S1PR4 O95977 1/20 0.41
KCNH2 Q12809 3/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
DYRK1A Q13627 1/20 0.38
PIP5K1C O60331 1/20 0.38
CHRNB4 P30926 2/20 0.37
CHRNA3 P32297 2/20 0.37
MAPT P10636 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.36
NTRK1 P04629 1/20 0.36
MAOA P21397 1/20 0.36

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
SCHEMBL5960698 0.81 DYRK1A (0.55) DYRK1AMAPT
SCHEMBL2683974 0.79 NTRK1 (0.53) CHRNB2CHRNA4DYRK1APIP5K1CMAPT
SCHEMBL2684045 0.78 PTGS2 (0.48) KDM4EGAADYRK1ACHRNB4CHRNA3
SCHEMBL15077283 0.77 CHRNB2 (0.65) CHRNB2CHRNA4S1PR4KCNH2KDM4E
SCHEMBL2685194 0.73 CYP19A1 (0.43) DYRK1AMAPT
SCHEMBL30934965 0.73 CHRNB2 (0.63) CHRNB2CHRNA4KCNH2KDM4EGAA
SCHEMBL2684592 0.73 CYP19A1 (0.43) KDM4EDYRK1AMAPT
SCHEMBL2310046 0.73 CHRNB2 (0.63) CHRNB2CHRNA4KCNH2KDM4EGAA
SCHEMBL30039567 0.73 CHRNB2 (0.63) CHRNB2CHRNA4KCNH2KDM4EGAA
SCHEMBL3213420 0.72 CHRNB2 (1.00) CHRNB2CHRNA4KCNH2KDM4EESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785468-B2 Phenylalanine amide derivatives useful for treating insulin-related diseases and conditions AMGEN INC. (US) 2014-07-22 US disclosed
US-8785468-B2 Phenylalanine amide derivatives useful for treating insulin-related diseases and conditions AMGEN INC. (US) 2014-07-22 US disclosed
US-20120115811-A1 PHENYLANALINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS AMGEN INC. (US) 2012-05-10 US disclosed
US-20120115811-A1 PHENYLANALINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS AMGEN INC. (US) 2012-05-10 US disclosed
WO-2010093849-A2 PHENYLALANINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS AMGEN INC. (US) 2010-08-19 WO disclosed
WO-2010093849-A2 PHENYLALANINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS AMGEN INC. (US) 2010-08-19 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-20120115811-A1 PHENYLANALINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS IAPP, INSR, AMY2A CHRNB2 2979/4885CHRNA4 3736/4885S1PR4 2649/4885

“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.