SCHEMBL4444325

SCHEMBL4444325

COC(=O)c1ccc(NC2CCN(C(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.54
ALDH1A1 P00352 6/20 0.51
MAPT P10636 5/20 0.50
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
POLB P06746 1/20 0.50
HPGD P15428 2/20 0.49
HTT P42858 2/20 0.47
NPC1 O15118 1/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GPR119 Q8TDV5 1/20 0.46
VCAM1 P19320 1/20 0.45

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
SCHEMBL29848413 1.00 HCAR3 (0.54) HCAR3ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL8070173 0.95 HCAR3 (0.55) HCAR3ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL18547374 0.92 ALDH1A1 (0.51) HCAR3ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL13153969 0.92 HCAR3 (0.60) HCAR3ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL15321069 0.91 MAPT (0.58) HCAR3ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL16895791 0.89 HCAR3 (0.51) HCAR3ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL16895794 0.89 HCAR3 (0.51) HCAR3ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL3091619 0.87 ALDH1A1 (0.49) HCAR3ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL16136068 0.87 ALDH1A1 (0.63) HCAR3ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL30870509 0.87 ALDH1A1 (0.63) HCAR3ALDH1A1MAPTLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121656-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE Pfizer Products Inc. (US) 2009-11-25 EP disclosed
US-20080287479-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE PFIZER INC 2008-11-20 US disclosed
US-20080287479-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE PFIZER INC 2008-11-20 US disclosed
US-20080287479-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE PFIZER INC 2008-11-20 US disclosed
WO-2008084300-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE PFIZER PRODUCTS INC. (US) 2008-07-17 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-20080287479-A1 INHIBITORS OF SERINE PALMITOYLTRANSFERASE SPTLC1, SPTLC2, CPT1A HCAR3 4142/4885ALDH1A1 2622/4885MAPT 1776/4885

“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.