SCHEMBL5960591

SCHEMBL5960591

CC(C)(C)OC(=O)N1CCc2ccc(-c3ccncc3)cc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.47
DRD2 P14416 1/20 0.47
HTR7 P34969 1/20 0.47
HTR2C P28335 3/20 0.46
HTR2B P41595 3/20 0.46
GPR119 Q8TDV5 3/20 0.46
CDC7 O00311 1/20 0.43
CDK9 P50750 1/20 0.43
BUB1 O43683 1/20 0.43
CREBBP Q92793 2/20 0.43
ESR2 Q92731 1/20 0.43
NR1H2 P55055 1/20 0.42
HTR2A P28223 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP11B1 P15538 3/20 0.40
CYP11B2 P19099 3/20 0.40
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39
NOTUM Q6P988 1/20 0.39

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
SCHEMBL13229193 0.87 CHRM4 (0.46) CHRM4DRD2HTR7GPR119ESR2
SCHEMBL29159709 0.84 CHRM4 (0.48) CHRM4DRD2HTR7GPR119ESR2
SCHEMBL5453239 0.81 ESR2 (0.55) GPR119ESR2NR1H2PTPN2PTPN1
SCHEMBL29435672 0.81 CHRM4 (0.43) CHRM4DRD2HTR7HTR2CGPR119
SCHEMBL649859 0.81 CHRM4 (0.43) CHRM4DRD2HTR7HTR2CGPR119
SCHEMBL2687194 0.80 CDC7 (0.47) HTR2CHTR2BCDC7CDK9CREBBP
SCHEMBL30697871 0.80 CHRM4 (0.40) CHRM4DRD2HTR7BUB1ESR2
SCHEMBL30697899 0.80 CHRM4 (0.40) CHRM4DRD2HTR7BUB1ESR2
SCHEMBL27341840 0.80 CHRM4 (0.40) CHRM4DRD2HTR7BUB1ESR2
SCHEMBL25404045 0.80 ESR2 (0.66) GPR119ESR2NR1H2PTPN2PTPN1

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 CHRM4 3584/4885DRD2 3076/4885HTR7 2464/4885

“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.