SCHEMBL6074879

SCHEMBL6074879

CC(C)(N)CCC[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
TDP1 Q9NUW8 1/20 0.35
TSHR P16473 1/20 0.33
GRM4 Q14833 1/20 0.33
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
BLM P54132 1/20 0.31
HBB P68871 1/20 0.31
KMT2A Q03164 1/20 0.31
HIF1A Q16665 1/20 0.31

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
Trifluoroacetic Acid SCHEMBL6073742 0.85 ALDH1A1 (0.36) ALDH1A1TDP1MEN1LMNABLM
SCHEMBL6185698 0.76 ALDH1A1 (0.48) ALDH1A1TDP1TSHRMEN1LMNA
SCHEMBL14174705 0.73 ALDH1A1 (0.52) ALDH1A1TDP1TSHRMEN1LMNA
SCHEMBL11871856 0.71 ALDH1A1 (0.43) ALDH1A1TDP1MEN1LMNABLM
SCHEMBL28138181 0.71
SCHEMBL28716923 0.70 ALDH1A1 (0.46) ALDH1A1TDP1TSHRMEN1LMNA
SCHEMBL8279343 0.70 ALDH1A1 (0.46) ALDH1A1TDP1TSHRMEN1LMNA
SCHEMBL719096 0.69 ALDH1A1 (0.67) ALDH1A1TDP1TSHRMEN1LMNA
SCHEMBL1011508 0.69
SCHEMBL14420440 0.69 GRM4 (0.41) GRM4

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 732/4885TDP1 2921/4885TSHR 2536/4885

“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.