SCHEMBL5871673

SCHEMBL5871673

BrCCC1COc2ccccc2O1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.61
CA2 P00918 3/20 0.55
ADRA2A P08913 2/20 0.53
ADRA1A P35348 2/20 0.53
HTR1A P08908 1/20 0.53
DRD1 P21728 1/20 0.53
TBXA2R P21731 1/20 0.53
SLC6A2 P23975 1/20 0.53
DRD3 P35462 1/20 0.53
ADRA2B P18089 1/20 0.53
ADRA2C P18825 1/20 0.53
ADRA1D P25100 1/20 0.53
ADRA1B P35368 1/20 0.53
SCN1A P35498 1/20 0.53
SCN2A Q99250 1/20 0.53
SCN3A Q9NY46 1/20 0.53
POLB P06746 2/20 0.50
ESR2 Q92731 1/20 0.50
MTNR1A P48039 1/20 0.50
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL11238168 0.91 HTT (0.59) HTTCA2ADRA2AADRA1AHTR1A
SCHEMBL10978442 0.89 HTT (0.58) HTTCA2ADRA2AADRA1AHTR1A
SCHEMBL15870272 0.85 ADRA2A (0.56) HTTCA2ADRA2AADRA1AHTR1A
SCHEMBL15864850 0.85 ADRA2A (0.56) HTTCA2ADRA2AADRA1AHTR1A
SCHEMBL243878 0.85 ADRA2A (0.56) HTTCA2ADRA2AADRA1AHTR1A
SCHEMBL406531 0.81 HTT (0.61) HTTCA2ADRA2AADRA1AHTR1A
SCHEMBL12309752 0.81 POLB (0.62) HTTCA2ADRA2AADRA1AHTR1A
SCHEMBL8788249 0.81 HTT (0.61) HTTCA2ADRA2AADRA1AHTR1A
SCHEMBL1568393 0.81 HTT (0.66) HTTCA2ADRA2AADRA1AHTR1A
SCHEMBL1545537 0.81 HTT (0.66) HTTCA2ADRA2AADRA1AHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102503929-A Synthesis method for guanoxan sulfate SHANGHAI MODERN HASEN SHANGQIU PHARMACEUTICAL CO LTD 2012-06-20 CN claimed
CN-102503929-A Synthesis method for guanoxan sulfate SHANGHAI MODERN HASEN SHANGQIU PHARMACEUTICAL CO LTD 2012-06-20 CN disclosed
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
CN-1204121-C 1,4-substituted cyclic amine derivatives EISAI CO LTD (JP) 2005-06-01 CN disclosed
CN-1616432-A Compound,its use and pharmaceutical compositions comprising same ELAN PHARM INC (US) 2005-05-18 CN disclosed
EP-0976732-B1 1,4-SUBSTITUTED CYCLIC AMINE DERIVATIVES EISAI CO LTD (JP) 2004-11-24 EP disclosed
CN-1171878-C Compounds, their use and pharmaceutical compositions containing them ������˹ҩƷ��˾ 2004-10-20 CN 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
CN-1253547-A 1,4-substituted cyclic amine derivatives EISAI CO LTD (JP) 2000-05-17 CN disclosed
EP-0976732-A1 1,4-SUBSTITUTED CYCLIC AMINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-02-02 EP disclosed
CN-1242007-A Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising such compounds, and methods of inhibiting beta amyloid peptide release and/or its synthesis using such compounds ELAND PHARMACEUTICAL CORP (US) 2000-01-19 CN disclosed
EP-0065864-B1 ANTI-HYPERTENSIVE 1-SUBSTITUTED SPIRO (PIPERIDINE-OXOBENZOXAZINES) SYNTEX (U.S.A.) INC. (US) 1985-08-28 EP disclosed
EP-0065864-A1 Anti-hypertensive 1-substituted spiro (piperidine-oxobenzoxazines) SYNTEX (U.S.A.) INC. (US) 1982-12-01 EP disclosed
US-4353901-A HYPERTENSION, CONGESTIVE HEART FAILURE, ARRHYTHMIAMIGRAINE, VASOSPASTIC DISORDERS, ASTHMA SYNTEX (U.S.A.) INC. (US) 1982-10-12 US disclosed
US-4349549-A Anti-hypertensive 1-substituted spiro(piperidine-oxobenzoxazine)s SYNTEX (U.S.A.) INC. (US) 1982-09-14 US 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 HTT 2192/4885CA2 256/4885ADRA2A 301/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 HTT 3323/4885CA2 577/4885ADRA2A 203/4885

“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.