SCHEMBL6485869

SCHEMBL6485869

O=C(NCCCO)[C@@H]1CCCN1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRCP P42785 3/20 0.69
HTR2C P28335 4/20 0.46
HTR2B P41595 2/20 0.46
TLR2 O60603 2/20 0.44
DPP7 Q9UHL4 1/20 0.43
CCNK O75909 1/20 0.42
CDK12 Q9NYV4 1/20 0.42
TERT O14746 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39

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
SCHEMBL21585404 1.00 PRCP (0.69) PRCPHTR2CHTR2BTLR2DPP7
SCHEMBL6478315 1.00 PRCP (0.69) PRCPHTR2CHTR2BTLR2DPP7
SCHEMBL23762353 0.95 PRCP (0.72) PRCPHTR2CHTR2BTLR2DPP7
SCHEMBL21582234 0.89 PRCP (0.64) PRCPHTR2CHTR2BTLR2DPP7
SCHEMBL5735106 0.89 PRCP (0.64) PRCPHTR2CHTR2BTLR2DPP7
SCHEMBL4578350 0.89 PRCP (0.64) PRCPHTR2CHTR2BTLR2DPP7
SCHEMBL13165149 0.89 PRCP (0.57) PRCPHTR2CHTR2BTLR2DPP7
SCHEMBL15329272 0.87 PRCP (0.70) PRCPHTR2CHTR2BTLR2DPP7
SCHEMBL8548319 0.85 PRCP (0.68) PRCPHTR2CHTR2BTLR2DPP7
Oxalic Acid SCHEMBL9348834 0.85 PRCP (0.59) PRCPHTR2CHTR2BTLR2DPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230001399-A1 NEW TRANSITION METAL CATALYST DSM IP ASSETS B.V. (NL) 2023-01-05 US disclosed
EP-3819295-A1 STEREOSELECTIVE SYNTHESIS OF ENANTIOMERICALLY-ENRICHED PANTOLACTONE DSM IP Assets B.V. (NL) 2021-05-12 EP disclosed
WO-2019228874-A1 STEREOSELECTIVE SYNTHESIS OF ENANTIOMERICALLY-ENRICHED PANTOLACTONE DSM IP ASSETS B.V. (NL) 2019-12-05 WO disclosed
US-6897210-B2 Quinazoline derivatives and pharmaceutical compositions containing them ZENECA LIMITED (GB) 2005-05-24 US disclosed
US-20040242574-A1 QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ZENECA LIMITED 2004-12-02 US disclosed
EP-0929530-A1 QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ZENECA LIMITED (GB) 1999-07-21 EP disclosed
WO-1998013354-A1 QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ZENECA LIMITED (GB) 1998-04-02 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 (2 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-20040242574-A1 QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CNKSR1, FLT1, NR5A1 PRCP 3603/4885HTR2C 552/4885HTR2B 1625/4885
US-20230001399-A1 NEW TRANSITION METAL CATALYST SOD1, FECH, SPR PRCP 1800/4885HTR2C 4559/4885HTR2B 4562/4885

“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.