SCHEMBL5871302

SCHEMBL5871302

OC1(c2ccc3c(c2)N(C2CCN(CCc4ccc(F)cc4)CC2)CC3)CCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.43
HTR1A P08908 3/20 0.43
HTR1D P28221 2/20 0.43
HTR1B P28222 1/20 0.43
HTR1F P30939 1/20 0.43
HTR2A P28223 4/20 0.42
HTR7 P34969 4/20 0.42
HRH1 P35367 2/20 0.42
DRD1 P21728 1/20 0.42
DRD5 P21918 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
DRD3 P35462 1/20 0.42
HTR2B P41595 1/20 0.42
SCD O00767 4/20 0.41
HTR2C P28335 3/20 0.41
HTR6 P50406 1/20 0.41
DRD4 P21917 1/20 0.41
HRH2 P25021 1/20 0.41
OPRM1 P35372 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
SCHEMBL5872098 0.98 DRD2 (0.43) DRD2HTR1AHTR1DHTR1BHTR1F
SCHEMBL5871024 0.86 HTR1A (0.44) HTR1AHTR1DHTR1BHTR1FHTR2A
SCHEMBL5871190 0.84 SCD (0.52) HTR1AHTR1DHTR1BHTR1FHTR2A
SCHEMBL5871052 0.82 SCD (0.52) HTR1AHTR1DHTR1BHTR1FHTR2A
SCHEMBL5871307 0.82 HTR1A (0.47) HTR1AHTR1DHTR1BHTR1FHTR2A
SCHEMBL5871561 0.82 HTR1A (0.45) HTR1AHTR1DHTR1BHTR1FHTR2A
SCHEMBL5871555 0.81 HTR2A (0.47) HTR1AHTR1DHTR1BHTR1FHTR2A
SCHEMBL5871361 0.81 SCD (0.49) HTR1AHTR1DHTR1BHTR1FHTR2A
SCHEMBL5871506 0.80 HTR1A (0.45) HTR1AHTR1DHTR1BHTR1FHTR2A
SCHEMBL5871123 0.80 HTR1A (0.45) 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 DRD2 51/4885HTR1A 17/4885HTR1D 31/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 DRD2 54/4885HTR1A 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.