SCHEMBL5871706

SCHEMBL5871706

CCNC(=O)Cc1ccc2ccn(C3CCN(C(F)Cc4ccccc4)CC3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.41
HTR1A P08908 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
HTR1F P30939 1/20 0.38
SIGMAR1 Q99720 4/20 0.37
DRD2 P14416 1/20 0.37
SLC6A4 P31645 1/20 0.37
AVPR1A P37288 2/20 0.36
HSD17B10 Q99714 1/20 0.36
CCR3 P51677 2/20 0.35
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
SCD O00767 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
SCHEMBL4081920 0.91 SCD (0.40) TACR1HTR1AHTR1DHTR1BHTR1F
SCHEMBL5871281 0.90 TACR1 (0.41) TACR1HTR1AHTR1DHTR1BHTR1F
SCHEMBL5871549 0.87 HTT (0.39) TACR1HTR1AHTR1DHTR1BHTR1F
SCHEMBL4076932 0.85 HTR1A (0.39) HTR1AHTR1DHTR1BHTR1FDRD2
SCHEMBL5201280 0.85 TACR1 (0.41) TACR1HTR1AHTR1DHTR1BHTR1F
SCHEMBL5871626 0.84 HTT (0.39) TACR1HTR1AHTR1DHTR1BHTR1F
SCHEMBL5871563 0.84 HTT (0.39) TACR1HTR1AHTR1DHTR1BHTR1F
SCHEMBL5871664 0.83 HTT (0.38) TACR1HTR1AHTR1DHTR1BHTR1F
SCHEMBL5871737 0.82 SCD (0.45) HTR1AHTR1DHTR1BHTR1FDRD2
SCHEMBL6619909 0.80 HTR1A (0.46) HTR1AHTR1DHTR1BHTR1FDRD2

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 TACR1 570/4885HTR1A 17/4885HTR1D 31/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 TACR1 693/4885HTR1A 14/4885HTR1D 27/4885

“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.