SCHEMBL6073485

SCHEMBL6073485

COc1cc2c(c(F)c1C=O)N(C)C(=O)CC2(C)C

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.33
ERN1 O75460 1/20 0.32
MAPT P10636 2/20 0.30
FGFR1 P11362 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
ALOX15 P16050 1/20 0.30
ALOX12 P18054 1/20 0.30
MAPK1 P28482 1/20 0.30
CASP1 P29466 1/20 0.30
BRCA1 P38398 1/20 0.30
CASP7 P55210 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL6074259 0.74 ALDH1A1 (0.44) RXRAERN1MAPTKDM4EALDH1A1
SCHEMBL6074455 0.72 BACE1 (0.34) KDM4EALDH1A1
SCHEMBL5791971 0.67 RXRA (0.49) RXRA
SCHEMBL6073600 0.63 LMNA (0.51) MAPTMEN1ALDH1A1KMT2A
SCHEMBL15726961 0.62 PTGS1 (0.38) RXRAALDH1A1
SCHEMBL18131771 0.62 ALDH1A1 (0.52) ERN1MAPTKDM4EALDH1A1CYP3A4
SCHEMBL31335743 0.61 ERN1 (0.43) ERN1KDM4EALDH1A1
SCHEMBL23011959 0.61 MAP3K5 (0.47) RXRAALDH1A1ALOX15MAPK1
Hydrochloric Acid SCHEMBL28412796 0.61 ALDH1A1 (0.50) ERN1MAPTKDM4EALDH1A1CYP3A4
SCHEMBL746009 0.61 ERN1 (0.50) ERN1KDM4EMEN1ALDH1A1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7119207-B2 Benzoamide piperidine containing compounds and related compounds PFIZER INC (US) 2006-10-10 US disclosed
US-20030087925-A1 Benzoamide piperidine containing compounds and related compounds PFIZER INC. 2003-05-08 US disclosed
EP-1272484-A2 BENZOAMIDE PIPERIDINE COMPOUNDS AS SUBSTANCE P ANTAGONISTS Pfizer Products Inc. (US) 2003-01-08 EP disclosed
WO-2001077100-A2 BENZOAMIDE PIPERIDINE COMPOUNDS AS SUBSTANCE P ANTAGONISTS PFIZER PRODUCTS INC. (US) 2001-10-18 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-20030087925-A1 Benzoamide piperidine containing compounds and related compounds TACR1, VIPR1, VIPR2 RXRA 3166/4885ERN1 2716/4885MAPT 2751/4885

“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.