SCHEMBL861580

SCHEMBL861580

CN1CC2CNC(=O)c3cc(C(=O)O)ccc3C2C1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.43
KDM4E B2RXH2 1/20 0.43
ALOX15 P16050 1/20 0.43
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
TDP2 O95551 1/20 0.36
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL1805370 1.00 POLB (0.43) POLBKDM4EALOX15KMT2AMEN1
SCHEMBL1805372 1.00 POLB (0.43) POLBKDM4EALOX15KMT2AMEN1
SCHEMBL860406 0.87 MAPKAPK2 (0.41) KMT2AMEN1ALDH1A1
SCHEMBL860405 0.87 MAPKAPK2 (0.41) KMT2AMEN1ALDH1A1
SCHEMBL1807470 0.87 MEN1 (0.34) POLBKDM4EALOX15KMT2AMEN1
SCHEMBL1807469 0.87 MEN1 (0.34) POLBKDM4EALOX15KMT2AMEN1
SCHEMBL860900 0.85 MAPKAPK2 (0.46) POLBKDM4EKMT2AMEN1ALDH1A1
SCHEMBL860901 0.85 MAPKAPK2 (0.46) POLBKDM4EKMT2AMEN1ALDH1A1
SCHEMBL861956 0.84 ALDH1A1 (0.43) POLBKMT2AMEN1ALDH1A1
SCHEMBL861957 0.84 ALDH1A1 (0.43) POLBKMT2AMEN1ALDH1A1

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-2432783-B1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LAB (US) 2013-05-01 EP claimed
US-20180346484-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE DEUTSCHLAND (DE) 2018-12-06 US disclosed
EP-2571353-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF AbbVie Inc. (US) 2013-03-27 EP disclosed
EP-2432783-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF Abbott Laboratories (US) 2012-03-28 EP disclosed
WO-2011146089-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-11-24 WO disclosed
WO-2010135560-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-11-25 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-20180346484-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C POLB 4355/4885KDM4E 1480/4885ALOX15 385/4885

“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.