SCHEMBL4961399

SCHEMBL4961399

Cc1csc(-c2cc(C=CCO)nn2CC2CCCCC2)c1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 2/20 0.33
HTR2C P28335 1/20 0.32
SLC6A4 P31645 1/20 0.32
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30

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
SCHEMBL5154354 0.85 P2RY14 (0.38) P2RY14HTR2CSLC6A4MEN1MAPT
SCHEMBL5154214 0.84 P2RY14 (0.35) P2RY14HTR2CSLC6A4MEN1MAPT
SCHEMBL3868902 0.83 PTGS2 (0.41) HDAC3HDAC1HDAC2
SCHEMBL4958830 0.82 P2RY14 (0.36) P2RY14HTR2CSLC6A4MEN1MAPT
SCHEMBL4963880 0.78 P2RY14 (0.34) P2RY14HTR2CSLC6A4MEN1MAPT
SCHEMBL5150896 0.74 P2RY14 (0.43) P2RY14HTR2CSLC6A4KMT2AHDAC3
SCHEMBL4961385 0.74 PTGS2 (0.36) P2RY14HTR2CSLC6A4MEN1MAPT
SCHEMBL5152028 0.73 PTGS2 (0.53)
SCHEMBL3866157 0.67 PTGS2 (0.36) HDAC3HDAC1HDAC2
SCHEMBL3867902 0.65 PTGS2 (0.36) HDAC3HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1542972-A4 CYCLOOXYGENASE- 2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE NITROMED INC (US) 2008-01-23 EP disclosed
US-20070238735-A1 Cyclooxygenase-2 selective inhibitors, compositions and methods of use NITRODMED, INC. (US) 2007-10-11 US disclosed
US-7244753-B2 Cyclooxygenase-2 selective inhibitors, compositions and methods of use NITROMED, INC. (US) 2007-07-17 US disclosed
EP-1542972-A2 CYCLOOXYGENASE- 2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2005-06-22 EP disclosed
US-20040072883-A1 Cyclooxygenase-2 selective inhibitors, compositions and methods of use NITROMED, INC. 2004-04-15 US disclosed
WO-2004010945-A2 CYCLOOXYGENASE- 2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2004-02-05 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-20040072883-A1 Cyclooxygenase-2 selective inhibitors, compositions and methods of use PTGS2, PTGIS, PTGES2 P2RY14 290/4885HTR2C 1054/4885SLC6A4 2005/4885
US-20070238735-A1 Cyclooxygenase-2 selective inhibitors, compositions and methods of use PTGS2, PTGIS, PTGS1 P2RY14 226/4885HTR2C 1208/4885SLC6A4 2365/4885

“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.