SCHEMBL2685667

SCHEMBL2685667

COc1ncc(-c2ccnn2C2CCCCO2)cc1NC(=O)[C@H](Cc1ccccc1)NC1(c2ccccn2)CC1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GPR142 Q7Z601 7/20 0.67
▸ ITGA4 P13612 2/20 0.38
▸ ITGB7 P26010 1/20 0.38
▸ CYP4F2 P78329 5/20 0.37
▸ CYP4A11 Q02928 5/20 0.37
▸ ITGB1 P05556 1/20 0.35
▸ ATR Q13535 2/20 0.34
▸ RXRA P19793 1/20 0.34
▸ RXRB P28702 1/20 0.34
▸ RXRG P48443 1/20 0.34
▸ HCRTR1 O43613 1/20 0.33
▸ HCRTR2 O43614 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ RIPK1 Q13546 1/20 0.33

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
SCHEMBL2684873 0.81 GPR142 (1.00) GPR142ITGA4ITGB7
SCHEMBL6031337 0.79 GPR142 (0.76) GPR142ITGA4ITGB7
SCHEMBL2685707 0.78 GPR142 (0.78) GPR142ITGA4ITGB7CYP4F2CYP4A11
SCHEMBL2685124 0.73 GPR142 (0.85) GPR142
SCHEMBL2685128 0.73 GPR142 (0.85) GPR142
SCHEMBL2685126 0.71 GPR142 (0.79) GPR142
SCHEMBL2685122 0.71 GPR142 (0.79) GPR142
SCHEMBL5960068 0.69 NTRK1 (0.44) HDAC8
SCHEMBL6029365 0.69 GPR142 (0.62) GPR142
SCHEMBL6031130 0.68 GPR142 (0.63) GPR142

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 GPR142 2779/4885ITGA4 4400/4885ITGB7 4500/4885

“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.

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