SCHEMBL4076932

SCHEMBL4076932

CC(=O)NCc1ccc2ccn(C3CCN(C(F)Cc4ccccc4)CC3)c2c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
HTR1F P30939 1/20 0.39
RAB9A P51151 1/20 0.39
OPRL1 P41146 3/20 0.37
HTR2A P28223 3/20 0.37
HTR2C P28335 3/20 0.37
HTR2B P41595 3/20 0.37
OPRM1 P35372 2/20 0.37
OPRK1 P41145 2/20 0.37
OPRD1 P41143 1/20 0.37
ACSS2 Q9NR19 1/20 0.37
TSHR P16473 1/20 0.37
DRD2 P14416 1/20 0.36
SLC6A4 P31645 1/20 0.36
CYP2D6 P10635 1/20 0.35

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
SCHEMBL5871041 0.93 HTR1A (0.47) HTR1AHTR1DHTR1BHTR1FHTR2A
SCHEMBL5871549 0.91 HTT (0.39) HTR1AHTR1DHTR1BHTR1FOPRL1
SCHEMBL5871563 0.90 HTT (0.39) HTR1AHTR1DHTR1BHTR1FRAB9A
SCHEMBL5871626 0.90 HTT (0.39) HTR1AHTR1DHTR1BHTR1FRAB9A
SCHEMBL5871664 0.88 HTT (0.38) HTR1AHTR1DHTR1BHTR1FTSHR
SCHEMBL4073398 0.87 ALDH1A1 (0.39) HTR1AHTR1DHTR1BHTR1FRAB9A
SCHEMBL5871706 0.85 TACR1 (0.41) HTR1AHTR1DHTR1BHTR1FDRD2
SCHEMBL4081920 0.85 SCD (0.40) HTR1AHTR1DHTR1BHTR1FOPRL1
SCHEMBL5871737 0.84 SCD (0.45) HTR1AHTR1DHTR1BHTR1FOPRL1
SCHEMBL5201280 0.83 TACR1 (0.41) HTR1AHTR1DHTR1BHTR1FOPRL1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7541371-B2 Method for treating a motor neuron disease EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-02 US claimed
US-20080027039-A1 Method for treating a motor neuron disease EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-01-31 US claimed
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-1123702-A1 ANALGESICS Eisai Co., Ltd. (JP) 2001-08-16 EP claimed
EP-0976732-A1 1,4-SUBSTITUTED CYCLIC AMINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-02-02 EP claimed
US-7541371-B2 Method for treating a motor neuron disease EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-02 US disclosed
US-20080027039-A1 Method for treating a motor neuron disease EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-01-31 US disclosed
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-1123702-A1 ANALGESICS Eisai Co., Ltd. (JP) 2001-08-16 EP 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 (3 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 HTR1A 17/4885HTR1D 31/4885HTR1B 84/4885
US-20080027039-A1 Method for treating a motor neuron disease SMN1; SMN2, NLN, SLC18A2 HTR1A 33/4885HTR1D 160/4885HTR1B 24/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 HTR1A 14/4885HTR1D 27/4885HTR1B 50/4885

“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.