SCHEMBL5871342

SCHEMBL5871342

Fc1ccc(CCN2CCC(=C3CCc4cccnc43)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 8/20 0.46
HTR1A P08908 4/20 0.44
DRD2 P14416 4/20 0.44
HTR2A P28223 4/20 0.44
DRD3 P35462 3/20 0.44
DRD1 P21728 2/20 0.44
DRD5 P21918 2/20 0.44
HTR7 P34969 2/20 0.42
ADRA2C P18825 1/20 0.42
DRD4 P21917 1/20 0.42
PTAFR P25105 2/20 0.42
HTR2B P41595 2/20 0.42
SLC6A4 P31645 1/20 0.42
KCNH2 Q12809 3/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
HTR2C P28335 1/20 0.41
ADRA1A P35348 1/20 0.41
OPRK1 P41145 1/20 0.41
KCNJ1 P48048 1/20 0.40

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
SCHEMBL5871405 0.74 HTR2A (0.38) HTR1ADRD2HTR2ADRD3DRD1
SCHEMBL5872075 0.71 HTR2A (0.53) HTR1ADRD2HTR2ADRD3DRD1
SCHEMBL5871397 0.70 HTR2A (0.46) HRH1HTR1ADRD2HTR2ADRD3
SCHEMBL5871530 0.70 CCR3 (0.44) HTR1ADRD2HTR2ADRD3DRD1
SCHEMBL24172563 0.67 HRH1 (0.81) HRH1PTAFRKCNH2
SCHEMBL1457115 0.67 MAOA (0.54) HTR2AHTR7KCNH2HTR2CKCNJ1
SCHEMBL3715278 0.67 KCNJ1 (0.58) HTR2AHTR7SLC6A4KCNH2HTR2C
SCHEMBL5871308 0.67 HTR2A (0.42) HRH1HTR1ADRD2HTR2ADRD3
SCHEMBL5745400 0.67 KCNJ1 (0.61) HTR2AHTR7SLC6A4KCNH2HTR2C
SCHEMBL23377646 0.66 HRH3 (0.68) HTR2AHTR7KCNH2HTR2CKCNJ1

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-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 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
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 HRH1 1292/4885HTR1A 17/4885DRD2 51/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 HRH1 718/4885HTR1A 14/4885DRD2 54/4885

“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.