SCHEMBL2684045

SCHEMBL2684045

COC(=O)COc1cc(-c2ccnc(C)c2)cc([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.48
ALDH1A1 P00352 4/20 0.43
CYP1A2 P05177 1/20 0.43
GAA P10253 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
DYRK1A Q13627 1/20 0.40
MAPT P10636 2/20 0.39
PORCN Q9H237 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.38
WNT3A P56704 2/20 0.38
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37

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 0.83 DYRK1A (0.55) PTGS2ALDH1A1SMN1; SMN2DYRK1AMAPT
SCHEMBL2687451 0.81 DYRK1A (0.43) DYRK1APORCNWNT3A
SCHEMBL8060294 0.80 PTGS2 (0.61) PTGS2ALDH1A1CYP1A2GAACYP2C19
SCHEMBL2686352 0.78 CHRNB2 (0.55) GAADYRK1AMAPTKDM4ECHRNB4
SCHEMBL1571371 0.76 PTGS2 (0.45) PTGS2ALDH1A1CYP1A2GAACYP2C19
SCHEMBL2684592 0.75 CYP19A1 (0.43) ALDH1A1RAB9ASMN1; SMN2DYRK1AMAPT
SCHEMBL1571230 0.74 PTGS2 (0.54) PTGS2ALDH1A1CYP1A2GAACYP2C19
SCHEMBL1784315 0.72 ALDH1A1 (0.63) PTGS2ALDH1A1CYP1A2GAACYP2C19
SCHEMBL2685194 0.72 CYP19A1 (0.43) ALDH1A1RAB9ASMN1; SMN2DYRK1AMAPT
SCHEMBL2684362 0.72 S1PR1 (0.42) ALDH1A1SMN1; SMN2MAPTWNT3A

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 8 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-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
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 PTGS2 763/4885ALDH1A1 2340/4885CYP1A2 83/4885

“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.