SCHEMBL5901643

SCHEMBL5901643

OC(COc1ccccc1F)CN1CCNCC1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.70
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
LMNA P02545 2/20 0.57
USP2 O75604 1/20 0.57
HTT P42858 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
PRMT5 O14744 1/20 0.54
WDR77 Q9BQA1 1/20 0.54
HTR1A P08908 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
ABCB1 P08183 1/20 0.50

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
SCHEMBL5995987 1.00 POLB (0.70) POLBMEN1KMT2ALMNAUSP2
SCHEMBL5901549 0.86 POLB (0.60) POLBMEN1KMT2ALMNAUSP2
SCHEMBL17640599 0.85 POLB (0.72) POLBMEN1KMT2ALMNAUSP2
SCHEMBL7282988 0.84 POLB (0.70) POLBMEN1KMT2ALMNAUSP2
SCHEMBL1922663 0.84 POLB (0.70) POLBMEN1KMT2ALMNAUSP2
SCHEMBL7289695 0.84 LMNA (0.82) POLBMEN1KMT2ALMNAUSP2
SCHEMBL22640144 0.84 LMNA (0.82) POLBMEN1KMT2ALMNAUSP2
SCHEMBL7288883 0.84 MEN1 (0.82) POLBMEN1KMT2ALMNAUSP2
SCHEMBL7280097 0.84 POLB (0.97) POLBMEN1KMT2ALMNAUSP2
SCHEMBL5996256 0.84 POLB (0.70) POLBMEN1KMT2ALMNAUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7056924-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2006-06-06 US disclosed
US-7001909-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2006-02-21 US disclosed
EP-1583760-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS CV Therapeutics Inc. (US) 2005-10-12 EP disclosed
US-6930111-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2005-08-16 US disclosed
EP-1406898-B1 SUBSTITUTED PIPERAZINE COMPOUNDS AND THEIR USE AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS INC (US) 2005-04-06 EP disclosed
US-20040176383-A1 Substituted heterocyclic compounds CV THERAPEUTICS, INC. 2004-09-09 US disclosed
WO-2004067506-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS CV THERAPEUTICS INC. (US) 2004-08-12 WO disclosed
EP-1406898-A1 SUBSTITUTED PIPERAZINE COMPOUNDS AND THEIR USE AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS, INC. (US) 2004-04-14 EP disclosed
US-20030181352-A1 Substituted heterocyclic compounds CV THERAPEUTICS, INC. 2003-09-25 US disclosed
US-20030176447-A1 Substituted heterocyclic compounds CV THERAPEUTICS, INC. 2003-09-18 US disclosed
WO-2003008411-A1 SUBSTITUTED PIPERAZINE COMPOUNDS AND THEIR USE AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS, INC. (US) 2003-01-30 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 (3 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-20030181352-A1 Substituted heterocyclic compounds DLD, LPL, HDLBP POLB 3005/4885MEN1 3242/4885KMT2A 3449/4885
US-20030176447-A1 Substituted heterocyclic compounds DLD, LPL, HDLBP POLB 3005/4885MEN1 3242/4885KMT2A 3449/4885
US-20040176383-A1 Substituted heterocyclic compounds DLD, LPL, HDLBP POLB 3005/4885MEN1 3242/4885KMT2A 3449/4885

“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.