SCHEMBL2685605

SCHEMBL2685605

N[C@@H](Cc1ccccc1)C(=O)N1CCc2ccc(-c3ccncc3)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 4/20 0.47
TSHR P16473 1/20 0.46
DPP4 P27487 4/20 0.44
DPP8 Q6V1X1 2/20 0.44
DPP9 Q86TI2 2/20 0.44
DPP7 Q9UHL4 2/20 0.44
FAP Q12884 1/20 0.44
CYP11B1 P15538 3/20 0.44
CYP11B2 P19099 2/20 0.44
NPSR1 Q6W5P4 2/20 0.43
HTT P42858 1/20 0.43
RECQL P46063 1/20 0.43
GPR142 Q7Z601 2/20 0.43
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
USP30 Q70CQ3 2/20 0.41
UCHL1 P09936 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
SCHEMBL2685606 1.00 HDAC8 (0.47) HDAC8TSHRDPP4DPP8DPP9
SCHEMBL4517974 0.92 CYP11B1 (0.53) HDAC8TSHRDPP4DPP8DPP9
SCHEMBL10260107 0.92 CYP11B1 (0.53) HDAC8TSHRDPP4DPP8DPP9
Hydrochloric Acid SCHEMBL4524946 0.91 CYP11B1 (0.53) HDAC8TSHRDPP4DPP8DPP9
SCHEMBL2683500 0.88 HDAC8 (0.47) HDAC8TSHRDPP4DPP8DPP9
SCHEMBL2683491 0.88 HDAC8 (0.47) HDAC8TSHRDPP4DPP8DPP9
SCHEMBL2685396 0.88 DPP4 (0.48) HDAC8TSHRDPP4DPP8DPP9
SCHEMBL2685400 0.88 DPP4 (0.48) HDAC8TSHRDPP4DPP8DPP9
Hydrochloric Acid SCHEMBL2686718 0.87 HDAC8 (0.50) HDAC8TSHRDPP4DPP8DPP9
SCHEMBL10260165 0.85 OPRM1 (0.49) HDAC8TSHRDPP4DPP8DPP9

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 HDAC8 2147/4885TSHR 792/4885DPP4 272/4885

“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.