SCHEMBL2683765

SCHEMBL2683765

Cc1cc(-c2cc(NC(=O)[C@H](Cc3ccc(Cl)cc3Cl)C(=O)OC(C)(C)C)cc(C(=O)OC(C)(C)C)c2)ccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RORA P35398 1/20 0.40
▸ NR2E1 Q9Y466 1/20 0.40
▸ AAK1 Q2M2I8 2/20 0.38
▸ MAPK1 P28482 1/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ PSEN1 P49768 7/20 0.35
▸ PSEN2 P49810 7/20 0.35
▸ APH1B Q8WW43 7/20 0.35
▸ NCSTN Q92542 7/20 0.35
▸ APH1A Q96BI3 7/20 0.35
▸ PSENEN Q9NZ42 7/20 0.35
▸ GPR142 Q7Z601 1/20 0.34
▸ CYP2D6 P10635 3/20 0.34
▸ IDO1 P14902 1/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ MME P08473 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ PKM P14618 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
SCHEMBL2683768 1.00 RORA (0.40) RORANR2E1AAK1MAPK1CYP2C9
SCHEMBL2686183 0.94 PTGER1 (0.40) RORANR2E1AAK1MAPK1CYP2C9
SCHEMBL2686188 0.94 PTGER1 (0.40) RORANR2E1AAK1MAPK1CYP2C9
SCHEMBL13258426 0.87 AAK1 (0.41) RORANR2E1AAK1MAPK1PSEN1
SCHEMBL13258419 0.81 AAK1 (0.41) RORANR2E1AAK1MAPK1CYP2C9
SCHEMBL2685599 0.77 HDAC8 (0.45) RORANR2E1MAPK1CYP2C9CYP3A4
SCHEMBL2685594 0.77 HDAC8 (0.45) RORANR2E1MAPK1CYP2C9CYP3A4
SCHEMBL2685745 0.70 IDO1 (0.47) CYP2C9CYP3A4CYP2D6IDO1L3MBTL1
SCHEMBL2685750 0.70 IDO1 (0.47) CYP2C9CYP3A4CYP2D6IDO1L3MBTL1
SCHEMBL2687188 0.67 CCNC (0.44) AAK1PSEN1PSEN2APH1BNCSTN

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-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
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 RORA 3188/4885NR2E1 390/4885AAK1 1582/4885

“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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