SCHEMBL5871397

SCHEMBL5871397

Fc1ccc(CCN2CCN(C3CCc4cccnc43)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.46
DRD2 P14416 4/20 0.46
HTR1A P08908 2/20 0.46
DRD1 P21728 2/20 0.46
DRD5 P21918 2/20 0.46
DRD3 P35462 2/20 0.46
FNTA P49354 1/20 0.45
FNTB P49356 1/20 0.45
HTR7 P34969 3/20 0.43
ADRA2C P18825 1/20 0.43
DRD4 P21917 1/20 0.43
HRH1 P35367 1/20 0.43
HTR2C P28335 4/20 0.43
HTR2B P41595 2/20 0.43
SIGMAR1 Q99720 2/20 0.43
HTR6 P50406 1/20 0.41
KCNH2 Q12809 2/20 0.41
KCNJ1 P48048 1/20 0.41
PRCP P42785 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
SCHEMBL7629208 0.84 MAOB (0.44) HTR2ADRD2HTR1ADRD1DRD5
SCHEMBL5872075 0.83 HTR2A (0.53) HTR2ADRD2HTR1ADRD1DRD5
SCHEMBL5871308 0.78 HTR2A (0.42) HTR2ADRD2HTR1ADRD1DRD5
SCHEMBL12836268 0.77 CXCR4 (0.46) HTR2ADRD2HTR1ADRD1DRD3
SCHEMBL8955169 0.74 CHRNA7 (0.42) HTR2AFNTAFNTBHTR2CHTR2B
SCHEMBL5871530 0.73 CCR3 (0.44) HTR2ADRD2HTR1ADRD1DRD5
SCHEMBL5872080 0.71 HTR2C (0.48) HTR2AHTR1ADRD3HTR7HTR2C
SCHEMBL9933651 0.71 FNTA (0.53) HTR2AFNTAFNTBHTR2CHTR2B
SCHEMBL9934555 0.71 FNTA (0.53) HTR2AFNTAFNTBHTR2CHTR2B
SCHEMBL3806875 0.70 MAPT (0.58) HTR2AHTR7HTR2CHTR6KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HTR2A 209/4885DRD2 51/4885HTR1A 17/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 HTR2A 143/4885DRD2 54/4885HTR1A 14/4885

“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.