SCHEMBL5871793

SCHEMBL5871793

COc1ccc2c(c1)C=C(O)CC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.50
BCL2 P10415 1/20 0.43
CYP11B1 P15538 2/20 0.42
CYP19A1 P11511 1/20 0.41
DRD1 P21728 2/20 0.41
DRD5 P21918 2/20 0.41
DRD2 P14416 2/20 0.41
DRD3 P35462 2/20 0.41
PTGS2 P35354 1/20 0.40
CHRNA7 P36544 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL14179574 0.90 CYP11B2 (0.45) CYP11B2CYP11B1CYP19A1DRD1DRD5
SCHEMBL8983557 0.80 CYP11B2 (0.51) CYP11B2BCL2CYP11B1CYP19A1DRD1
SCHEMBL11035078 0.80 CYP11B2 (0.51) CYP11B2BCL2CYP11B1CYP19A1DRD1
SCHEMBL5779686 0.79 CYP11B2 (0.50) CYP11B2BCL2CYP11B1CYP19A1DRD1
SCHEMBL30715510 0.79 CYP11B2 (0.50) CYP11B2BCL2CYP11B1CYP19A1DRD1
SCHEMBL5784728 0.78 CYP11B2 (0.47) CYP11B2BCL2CYP11B1CYP19A1DRD1
SCHEMBL8483356 0.77 CYP11B2 (0.46) CYP11B2BCL2PTGS2MAOBKDM4E
SCHEMBL11449973 0.76 CYP11B2 (0.48) CYP11B2BCL2CYP11B1CYP19A1DRD1
SCHEMBL225034 0.76 CYP11B2 (0.48) CYP11B2BCL2CYP11B1CYP19A1DRD1
SCHEMBL8533789 0.76 CYP11B2 (0.45) CYP11B2BCL2CYP11B1CYP19A1DRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CYP11B2 429/4885BCL2 1237/4885CYP11B1 368/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 CYP11B2 586/4885BCL2 1454/4885CYP11B1 581/4885

“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.