SCHEMBL6073885

SCHEMBL6073885

COc1cc2c(cc1C=O)N(C)C(=O)CC2C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
MAPT P10636 2/20 0.46
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MCOLN3 Q8TDD5 1/20 0.36
NOD2 Q9HC29 1/20 0.36
BRD4 O60885 3/20 0.35
ACHE P22303 4/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
ALDH1A3 P47895 1/20 0.33
PRKDC P78527 1/20 0.33

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
SCHEMBL6608851 0.78 ALDH1A1 (0.46) ALDH1A1MAPTGAASMN1; SMN2KDM4E
SCHEMBL6073770 0.76 ALDH1A1 (0.43) ALDH1A1MAPTGAASMN1; SMN2KDM4E
SCHEMBL6604704 0.76 ALDH1A1 (0.49) ALDH1A1MAPTGAASMN1; SMN2KDM4E
SCHEMBL4148886 0.76 ALDH1A1 (0.43) ALDH1A1MAPTGAASMN1; SMN2KDM4E
SCHEMBL6074170 0.76 ALDH1A1 (0.43) ALDH1A1MAPTGAASMN1; SMN2KDM4E
SCHEMBL5165016 0.76 ALDH1A1 (0.43) ALDH1A1MAPTGAASMN1; SMN2KDM4E
SCHEMBL27578391 0.74 ALDH1A1 (0.44) ALDH1A1MAPTGAASMN1; SMN2KDM4E
SCHEMBL7017444 0.73 ALDH1A1 (0.46) ALDH1A1MAPTGAASMN1; SMN2KDM4E
SCHEMBL4156212 0.73 CYP11B1 (0.48) ALDH1A1MAPTGAASMN1; SMN2KDM4E
SCHEMBL7822035 0.73 ALDH1A1 (0.43) ALDH1A1MAPTGAASMN1; SMN2KDM4E

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 ALDH1A1 732/4885MAPT 2751/4885GAA 781/4885

“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.