SCHEMBL6073668

SCHEMBL6073668

COc1cc2c(cc1C(OC)OC)N(C)C(=O)[C@H]1CC21

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.36
CCL2 P13500 1/20 0.32
ALDH1A1 P00352 2/20 0.31
HTT P42858 1/20 0.31
MAOA P21397 1/20 0.31
MAPK1 P28482 1/20 0.30
TSHR P16473 1/20 0.30
KLK7 P49862 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
SCHEMBL6074357 1.00 BRD4 (0.36) BRD4CCL2ALDH1A1HTTMAOA
SCHEMBL6074065 1.00 BRD4 (0.36) BRD4CCL2ALDH1A1HTTMAOA
SCHEMBL13802584 0.81 BRD4 (0.37) BRD4CCL2ALDH1A1HTTMAPK1
SCHEMBL6073770 0.77 ALDH1A1 (0.43) BRD4CCL2ALDH1A1HTTTSHR
SCHEMBL5165016 0.77 ALDH1A1 (0.43) BRD4CCL2ALDH1A1HTTTSHR
SCHEMBL6074170 0.77 ALDH1A1 (0.43) BRD4CCL2ALDH1A1HTTTSHR
SCHEMBL4148886 0.77 ALDH1A1 (0.43) BRD4CCL2ALDH1A1HTTTSHR
SCHEMBL4942493 0.71 LMNA (0.48) BRD4ALDH1A1TSHR
SCHEMBL4939523 0.69
SCHEMBL32675619 0.64 MEN1 (0.54) ALDH1A1TSHR

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-20030087925-A1 Benzoamide piperidine containing compounds and related compounds PFIZER INC. 2003-05-08 US claimed
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

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 BRD4 828/4885CCL2 521/4885ALDH1A1 732/4885

“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.