SCHEMBL5871789

SCHEMBL5871789

COc1ccc2c(c1)C(=O)C(=O)CC2

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.58
METAP1 P53582 2/20 0.58
CYP19A1 P11511 2/20 0.56
MAPK14 Q16539 7/20 0.55
NPC1 O15118 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
MAOA P21397 1/20 0.53
ACHE P22303 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
SCHEMBL251842 0.89 MAOB (0.54) MAOBMETAP1CYP19A1MAPK14NPC1
SCHEMBL29392039 0.89 MAOB (0.54) MAOBMETAP1CYP19A1MAPK14NPC1
SCHEMBL6130607 0.86 MAPK14 (0.56) MAOBMETAP1CYP19A1MAPK14
SCHEMBL1512575 0.84 METAP1 (0.70) MAOBMETAP1ALDH1A1SMN1; SMN2MAOA
SCHEMBL5337855 0.83 MAPK14 (0.67) MAOBMETAP1CYP19A1MAPK14NPC1
Butane SCHEMBL4688097 0.83 BRD4 (0.52) MAOBMETAP1CYP19A1MAPK14ACHE
SCHEMBL21469311 0.83 MAOB (0.56) MAOBMETAP1CYP19A1MAPK14NPC1
SCHEMBL268592 0.81 KDM4E (0.56) MAOBMETAP1CYP19A1ALDH1A1LMNA
Acetic Acid SCHEMBL6934641 0.81 MAOB (0.51) MAOBMETAP1CYP19A1MAPK14NPC1
Water SCHEMBL28454486 0.80 KDM4E (0.54) MAOBMETAP1CYP19A1ALDH1A1LMNA

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 MAOB 216/4885METAP1 596/4885CYP19A1 3511/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 MAOB 333/4885METAP1 1434/4885CYP19A1 2761/4885

“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.