SCHEMBL5871654

SCHEMBL5871654

CC(=O)Nc1ccc2c(c1)N(C1CCN(CCc3ccc(F)cc3)CC1)C(C)C2(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
POLB P06746 2/20 0.44
MAPT P10636 2/20 0.44
THRB P10828 2/20 0.44
RECQL P46063 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4A O75164 1/20 0.44
HTR2A P28223 3/20 0.42
HTR2C P28335 2/20 0.42
HTR7 P34969 2/20 0.42
HTR6 P50406 2/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
OPRM1 P35372 1/20 0.41
OPRK1 P41145 1/20 0.41
HTR1A P08908 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
HTR1F P30939 1/20 0.40

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
SCHEMBL5871360 0.84 HTR2A (0.51) HTR2AHTR2CHTR7HTR6KDM4E
SCHEMBL5871742 0.83 HTR1A (0.44) HTR2AHTR2CHTR7HTR6KDM4E
SCHEMBL5871736 0.81 HTR2A (0.43) HTR2AHTR2CHTR7HTR6KDM4E
SCHEMBL5871255 0.80 HTR1A (0.63) HTR2AHTR2CHTR7HTR6HTR1A
SCHEMBL5872006 0.79 HTR2A (0.41) KMT2AHTR2AHTR2CHTR7HTR6
SCHEMBL5871359 0.79 HTR2A (0.49) MEN1KMT2AHTR2AHTR2CHTR7
SCHEMBL5871581 0.78 HTR2A (0.48) HTR2AHTR2CHTR7KDM4EHTR1A
SCHEMBL5871043 0.75 HTR2A (0.51) MEN1KMT2AHTR2AHTR2CKDM4E
SCHEMBL5871547 0.74 HTR2A (0.48) MEN1KMT2AHTR2AHTR2CHTR7
SCHEMBL5871676 0.74 HTR1A (0.62) HTR2AHTR2CHTR7HTR6KDM4E

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-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 MEN1 424/4885POLB 3419/4885MAPT 2798/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 MEN1 574/4885POLB 2860/4885MAPT 3650/4885

“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.