SCHEMBL5871090

SCHEMBL5871090

OCCOc1ccc2c(c1)N(C1CCN(CCc3ccc(F)cc3)CC1)CC2

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCD O00767 5/20 0.45
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
HTR1A P08908 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
HTR1F P30939 1/20 0.43
DRD2 P14416 1/20 0.41
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
HTR7 P34969 2/20 0.41
HTR6 P50406 1/20 0.41
KCNH2 Q12809 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
SCHEMBL4073208 0.86 HTR1A (0.55) SCDHTR1AHTR1DHTR1BHTR1F
SCHEMBL5871052 0.84 SCD (0.52) SCDHTR1AHTR1DHTR1BHTR1F
SCHEMBL5871190 0.84 SCD (0.52) SCDHTR1AHTR1DHTR1BHTR1F
SCHEMBL5871304 0.84 KCNH2 (0.48) ADRA1DADRA1AADRA1BKCNH2
SCHEMBL5871086 0.83 HTR1A (0.46) SCDADRA1BHTR1AHTR1DHTR1B
SCHEMBL5871361 0.83 SCD (0.49) SCDHTR1AHTR1DHTR1BHTR1F
SCHEMBL5871294 0.82 HTR1A (0.52) SCDADRA1DADRA1AADRA1BHTR1A
SCHEMBL5871307 0.82 HTR1A (0.47) SCDHTR1AHTR1DHTR1BHTR1F
SCHEMBL5871231 0.82 HTR1A (0.50) SCDHTR1A
SCHEMBL5871331 0.82 HTR1A (0.44) SCDADRA1DADRA1AADRA1BHTR1A

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 SCD 2882/4885ADRA1D 87/4885ADRA1A 213/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 SCD 3282/4885ADRA1D 75/4885ADRA1A 162/4885

“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.