SCHEMBL5871676

SCHEMBL5871676

CC(=O)Nc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.62
HTR1B P28222 2/20 0.62
HTR1F P30939 2/20 0.62
HTR1D P28221 1/20 0.62
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HTR2A P28223 3/20 0.45
HTR7 P34969 3/20 0.45
HTR2C P28335 2/20 0.45
HTR6 P50406 2/20 0.45
MCHR1 Q99705 5/20 0.45
KCNH2 Q12809 1/20 0.44
CXCR3 P49682 1/20 0.43
RORC P51449 1/20 0.42
CCR3 P51677 2/20 0.42
CACNA1G O43497 1/20 0.41
EPHX2 P34913 1/20 0.41
DRD2 P14416 1/20 0.41
SLC6A4 P31645 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
SCHEMBL5871544 0.86 HTR1A (0.50) HTR1AHTR1BHTR1FHTR1DHTR2A
SCHEMBL5871193 0.84 HTR1A (0.52) HTR1AHTR1BHTR1FHTR1DHTR2A
SCHEMBL5871548 0.84 MCHR1 (0.46) HTR1AHTR1BHTR1FHTR1DKDM4E
SCHEMBL5871199 0.83 SCD (0.51) HTR1AHTR1BHTR1FHTR1DHTR2A
SCHEMBL5204142 0.83 HTR1A (0.50) HTR1AHTR1BHTR1FHTR1DHTR2A
SCHEMBL5871522 0.82 HTR1A (0.48) HTR1AHTR1BHTR1FHTR1DHTR2A
SCHEMBL5871166 0.82 HTR1A (0.47) HTR1AHTR1BHTR1FHTR1DHTR2A
SCHEMBL5871133 0.81 HTR1A (0.48) HTR1AHTR1BHTR1FHTR1DHTR2A
SCHEMBL5871456 0.81 HTR1A (0.48) HTR1AHTR1BHTR1FHTR1DHTR2A
SCHEMBL5871465 0.81 HTR2A (0.53) HTR1AHTR1BHTR1FHTR1DHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-1253547-A 1,4-substituted cyclic amine derivatives EISAI CO LTD (JP) 2000-05-17 CN 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
CN-1204121-C 1,4-substituted cyclic amine derivatives EISAI CO LTD (JP) 2005-06-01 CN 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
CN-1253547-A 1,4-substituted cyclic amine derivatives EISAI CO LTD (JP) 2000-05-17 CN 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 HTR1A 17/4885HTR1B 84/4885HTR1F 53/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 HTR1A 14/4885HTR1B 50/4885HTR1F 60/4885

“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.