SCHEMBL3850344

SCHEMBL3850344

Nc1cc2c3c(cc(N)cc3c1)C(=O)N(CCCP(=O)(O)O)C2=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.46
FTO Q9C0B1 1/20 0.46
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
POLB P06746 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
MAPT P10636 2/20 0.45
RECQL P46063 2/20 0.45
RAB9A P51151 2/20 0.45
AHR P35869 2/20 0.45
MAPK1 P28482 2/20 0.44
CYP1A2 P05177 1/20 0.44
TNNI3 P19429 1/20 0.44
STAT6 P42226 1/20 0.44
TNNT2 P45379 1/20 0.44
TNNC1 P63316 1/20 0.44
CASP1 P29466 2/20 0.42
HSD17B10 Q99714 2/20 0.42
GAA P10253 1/20 0.42
LCK P06239 1/20 0.41

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
SCHEMBL28781798 0.79 MEN1 (0.54) CYP2D6FTOMEN1KMT2APOLB
SCHEMBL3850799 0.79 FTO (0.56) FTOMEN1KMT2APOLBMAPT
SCHEMBL28781796 0.79 HEXA (0.56) CYP2D6FTOMEN1KMT2APOLB
SCHEMBL3851928 0.78 MEN1 (0.68) CYP2D6FTOMEN1KMT2APOLB
SCHEMBL3860282 0.78 KMT2A (0.44) CYP2D6FTOMEN1KMT2AMAPT
SCHEMBL3851755 0.77 CYP2D6 (0.46) CYP2D6FTOMEN1KMT2APOLB
SCHEMBL31018801 0.77 KDM4E (0.61) MEN1KMT2ARECQLRAB9AMAPK1
SCHEMBL28781804 0.77 HEXA (0.57) CYP2D6FTOMEN1KMT2APOLB
SCHEMBL3855322 0.75 MEN1 (0.55) CYP2D6FTOMEN1KMT2APOLB
SCHEMBL2182918 0.73 TSHR (0.66) CYP2D6MAPTRAB9AMAPK1CYP1A2

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-7579468-B2 Methods of modulating neurotrophin-mediated activity PAINCEPTOR PHARMA CORPORATION (CA) 2009-08-25 US claimed
EP-1931637-A2 METHODS OF MODULATING NEUROTROPHIN-MEDIATED ACTIVITY PainCeptor Pharma Corp. (CA) 2008-06-18 EP claimed
US-20070093474-A1 Methods of modulating neurotrophin-mediated activity PAINCEPTOR PHARMA CORPORATION (CA) 2007-04-26 US claimed
WO-2007030940-A2 METHODS OF MODULATING NEUROTROPHIN-MEDIATED ACTIVITY PAINCEPTOR PHARMA CORPORATION (CA) 2007-03-22 WO claimed
US-7579468-B2 Methods of modulating neurotrophin-mediated activity PAINCEPTOR PHARMA CORPORATION (CA) 2009-08-25 US disclosed
US-7579468-B2 Methods of modulating neurotrophin-mediated activity PAINCEPTOR PHARMA CORPORATION (CA) 2009-08-25 US disclosed
US-7579468-B2 Methods of modulating neurotrophin-mediated activity PAINCEPTOR PHARMA CORPORATION (CA) 2009-08-25 US disclosed
US-20070093474-A1 Methods of modulating neurotrophin-mediated activity PAINCEPTOR PHARMA CORPORATION (CA) 2007-04-26 US disclosed
US-20070093474-A1 Methods of modulating neurotrophin-mediated activity PAINCEPTOR PHARMA CORPORATION (CA) 2007-04-26 US disclosed
US-20070093474-A1 Methods of modulating neurotrophin-mediated activity PAINCEPTOR PHARMA CORPORATION (CA) 2007-04-26 US disclosed
WO-2007030940-A2 METHODS OF MODULATING NEUROTROPHIN-MEDIATED ACTIVITY PAINCEPTOR PHARMA CORPORATION (CA) 2007-03-22 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-20070093474-A1 Methods of modulating neurotrophin-mediated activity NGF, BDNF, NTRK2 CYP2D6 4809/4885FTO 4015/4885MEN1 3865/4885

“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.