SCHEMBL5871732

SCHEMBL5871732

O=C(Cc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1)NCc1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
POLB P06746 1/20 0.42
NTRK1 P04629 2/20 0.42
HTR1A P08908 2/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
HTR1F P30939 1/20 0.41
DRD2 P14416 1/20 0.41
MET P08581 1/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HPGD P15428 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
Oxalic Acid SCHEMBL5872125 0.98 POLB (0.43) KMT2AMEN1CYP1A2CYP2C19NPSR1
SCHEMBL5872068 0.93 NPC1 (0.46) KMT2AMEN1HTR1AHTR1DHTR1B
Oxalic Acid SCHEMBL5871197 0.91 NPC1 (0.46) KMT2AMEN1HTR1AHTR1DHTR1B
SCHEMBL5871378 0.88 HTR1A (0.44) KMT2AMEN1HTR1AHTR1DHTR1B
SCHEMBL5202481 0.84 HTR1A (0.48) KMT2AMEN1HTR1AHTR1DHTR1B
SCHEMBL5872132 0.83 KMT2A (0.43) KMT2AMEN1CYP1A2CYP2C19NPSR1
SCHEMBL5872217 0.83 HTR1A (0.46) KMT2AMEN1HTR1AHTR1DHTR1B
SCHEMBL5871528 0.83 HTR1A (0.46) KMT2AMEN1HTR1AHTR1DHTR1B
SCHEMBL5871926 0.82 HTR1A (0.45) KMT2AMEN1HTR1AHTR1DHTR1B
SCHEMBL6620017 0.82 HTR1A (0.45) HTR1AHTR1DHTR1BHTR1FCCR3

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
EP-0976732-B1 1,4-SUBSTITUTED CYCLIC AMINE DERIVATIVES EISAI CO LTD (JP) 2004-11-24 EP claimed
US-6579881-B2 Indoles EISAI CO., LTD. (JP) 2003-06-17 US claimed
US-20020019531-A1 Indoles EISAI CO., LTD. 2002-02-14 US claimed
EP-0976732-A1 1,4-SUBSTITUTED CYCLIC AMINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-02-02 EP claimed
US-7071201-B2 Serotonin antagonism; muscle relaxant for myotonia; such as 1-(1-(2-(4-methoxyphenyl)ethyl)piperidin-4-yl)-7-methoxy-1,2,3,4 -tetrahydroquinoline EISAI CO., LTD. (JP) 2006-07-04 US disclosed
EP-0976732-B1 1,4-SUBSTITUTED CYCLIC AMINE DERIVATIVES EISAI CO LTD (JP) 2004-11-24 EP disclosed
US-6579881-B2 Indoles EISAI CO., LTD. (JP) 2003-06-17 US disclosed
US-6448243-B1 SEROTONIN ANTAGONIST FOR TREATING, AMELIORATING AND PREVENTING SPASTIC PARALYSIS OR CENTRAL MUSCLE RELAXANTS FOR AMELIORATING MYOTONIA EISAI CO., LTD. (JP) 2002-09-10 US disclosed
US-20020086999-A1 Certain quinoline derivatives EISAI CO., LTD. 2002-07-04 US disclosed
US-20020019531-A1 Indoles EISAI CO., LTD. 2002-02-14 US disclosed
EP-0976732-A1 1,4-SUBSTITUTED CYCLIC AMINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-02-02 EP 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-20020019531-A1 Indoles INMT, MUSK, MB KMT2A 1128/4885MEN1 424/4885CYP1A2 2772/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 KMT2A 1347/4885MEN1 574/4885CYP1A2 1842/4885

“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.