SCHEMBL5871713

SCHEMBL5871713

O=C(NCc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1)C(F)F

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.46
HTR1D P28221 1/20 0.46
HTR1B P28222 1/20 0.46
HTR1F P30939 1/20 0.46
HTR2A P28223 4/20 0.46
HTR7 P34969 4/20 0.46
HTR2C P28335 3/20 0.46
HTR6 P50406 2/20 0.46
KCNH2 Q12809 1/20 0.43
CCR3 P51677 1/20 0.40
CACNA1G O43497 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SCD O00767 1/20 0.40
CCR2 P41597 2/20 0.39
ERCC1 P07992 1/20 0.39
ERCC4 Q92889 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
SCHEMBL5871215 0.92 HTR1A (0.48) HTR1AHTR1DHTR1BHTR1FHTR2A
SCHEMBL5871544 0.89 HTR1A (0.50) HTR1AHTR1DHTR1BHTR1FHTR2A
SCHEMBL5871184 0.89 HTR1A (0.48) HTR1AHTR1DHTR1BHTR1FHTR2A
SCHEMBL5871597 0.88 HTR1A (0.47) HTR1AHTR1DHTR1BHTR1FHTR2A
SCHEMBL5871256 0.88 ERCC1 (0.50) HTR1AHTR1DHTR1BHTR1FHTR2A
SCHEMBL5871158 0.88 HTR1A (0.47) HTR1AHTR1DHTR1BHTR1FHTR2A
SCHEMBL5870993 0.87 HTR1A (0.46) HTR1AHTR1DHTR1BHTR1FHTR2A
SCHEMBL5871448 0.87 HTR1A (0.46) HTR1AHTR1DHTR1BHTR1FHTR2A
SCHEMBL5871945 0.87 HTR1A (0.48) HTR1AHTR1DHTR1BHTR1FHTR2A
SCHEMBL5871367 0.87 HTR1A (0.48) HTR1AHTR1DHTR1BHTR1FHTR2A

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 10 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
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 HTR1A 17/4885HTR1D 31/4885HTR1B 84/4885
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.