SCHEMBL6074455

SCHEMBL6074455

COc1cc(F)c2c(c1)C(C)(C)CC(=O)N2C

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 7/20 0.34
PGR P06401 1/20 0.33
CPS1 P31327 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
PLA2G7 Q13093 2/20 0.32
AR P10275 1/20 0.32
LMNA P02545 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
RECQL P46063 1/20 0.31
CTSD P07339 1/20 0.30
GRM4 Q14833 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
SCHEMBL6073600 0.74 LMNA (0.51) BACE1LMNAALDH1A1HPGD
SCHEMBL27434591 0.70 L3MBTL1 (0.36) CPS1TAAR1ALDH1A1HPGDKDM4E
SCHEMBL23011959 0.65 MAP3K5 (0.47) LMNAALDH1A1HPGDGAA
SCHEMBL6261249 0.64 TAAR1 (0.38) BACE1CPS1TAAR1ALDH1A1
SCHEMBL15726961 0.64 PTGS1 (0.38) ALDH1A1
SCHEMBL4056890 0.64 KDM4E (0.38) PGRTAAR1LMNAALDH1A1KDM4E
SCHEMBL14922715 0.62 CCR4 (0.46) CPS1TAAR1KDM4E
SCHEMBL9682238 0.61 HDAC3 (0.45) LMNAALDH1A1KDM4E
SCHEMBL23011980 0.61 MAP3K5 (0.46) AR
SCHEMBL9679997 0.61 BACE1 (0.40) BACE1

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 BACE1 1320/4885PGR 305/4885CPS1 1351/4885

“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.