SCHEMBL5156097

SCHEMBL5156097

Cc1cc(F)ccc1C1CN(C(=O)OC(C)(C)C)CCC1=O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.41
BRD3 Q15059 2/20 0.41
HPGDS O60760 2/20 0.41
GPR119 Q8TDV5 3/20 0.40
GRM5 P41594 2/20 0.40
GRM1 Q13255 2/20 0.40
ESR2 Q92731 1/20 0.40
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL557260 0.88 ESR2 (0.51) NR1H2GPR119GRM5ESR2DDB1
SCHEMBL5161957 0.85 GPR119 (0.43) NR1H2GPR119GRM5GRM1ESR2
SCHEMBL30783165 0.85 GPR119 (0.43) NR1H2GPR119GRM5GRM1ESR2
SCHEMBL31385916 0.84 HSP90AA1 (0.39) NR1H2GPR119ESR2HDAC1DDB1
SCHEMBL556212 0.83 MMP1 (0.37) NR1H2GPR119ESR2
SCHEMBL4483494 0.82 RORC (0.47) NR1H2GPR119GRM5GRM1ESR2
SCHEMBL11898578 0.81 GPR119 (0.38) NR1H2GPR119GRM5ESR2DDB1
SCHEMBL20757938 0.80 KDM4E (0.47) BRD3GPR119HDAC1HDAC2SMN1; SMN2
SCHEMBL4029061 0.78 GSK3B (0.43) BRD3GPR119HDAC1HDAC2SMN1; SMN2
SCHEMBL5158520 0.78 TACR1 (0.45) BRD3GPR119HDAC1HDAC2SMN1; SMN2

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
EP-1748984-A1 PIPERIDINE DERIVATIVES AS NK1 AND NK3 ANTAGONISTS Pfizer Products Inc. (US) 2007-02-07 EP disclosed
WO-2005110987-A1 PIPERIDINE DERIVATIVES AS NK1 AND NK3 ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-11-24 WO disclosed
US-20050256164-A1 NK1 and NK3 antagonists PFIZER INC 2005-11-17 US 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-20050256164-A1 NK1 and NK3 antagonists TAC3, TACR1, TACR2 NR1H2 2428/4885BRD3 1960/4885HPGDS 1785/4885

“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.