SCHEMBL5160634

SCHEMBL5160634

CC(C)(C)OC(=O)N1CCC(=O)C(c2cccc(Cl)c2)C1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
STS P08842 2/20 0.47
TP53 P04637 3/20 0.44
MAPT P10636 2/20 0.44
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
ESR2 Q92731 1/20 0.43
NR1H2 P55055 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
KIF11 P52732 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
TNF P01375 2/20 0.40
LITAF Q99732 2/20 0.40
PDK4 Q16654 1/20 0.40
GPR119 Q8TDV5 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
SCHEMBL1617581 0.86 RORC (0.48) DDB1CRBNNR1H2PDK4GPR119
SCHEMBL4006223 0.85 DDB1 (0.46) STSMAPTDDB1CRBNESR2
SCHEMBL5160786 0.83 DDB1 (0.46) DDB1CRBNESR2NR1H2GPR119
SCHEMBL31451511 0.82 POLB (0.42) DDB1CRBNESR2NR1H2POLB
SCHEMBL20672015 0.82 STS (0.52) STSTP53MAPTDDB1CRBN
SCHEMBL12279418 0.80 TP53 (0.60) STSTP53MAPTSMN1; SMN2MEN1
SCHEMBL20757065 0.79 TP53 (0.52) STSTP53MAPTSMN1; SMN2MEN1
SCHEMBL29960225 0.79 RORC (0.47) GPR119
SCHEMBL4483494 0.79 RORC (0.47) DDB1CRBNESR2NR1H2MEN1
SCHEMBL27211314 0.79 GRM1 (0.44) DDB1CRBNESR2NR1H2GPR119

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 STS 2853/4885TP53 4393/4885MAPT 2851/4885

“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.