SCHEMBL5438205

SCHEMBL5438205

CC(=O)OC1CC(C)CCC1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 5/20 0.39
CHRM1 P11229 3/20 0.39
CHRM4 P08173 2/20 0.39
CHRM3 P20309 2/20 0.39
MEN1 O00255 1/20 0.38
CYP2D6 P10635 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 1/20 0.38
EPHX1 P07099 3/20 0.35
GABRR1 P24046 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL4155540 1.00 CHRM2 (0.39) CHRM2CHRM1CHRM4CHRM3MEN1
SCHEMBL2157709 1.00 CHRM2 (0.39) CHRM2CHRM1CHRM4CHRM3MEN1
SCHEMBL5464867 1.00 CHRM2 (0.39) CHRM2CHRM1CHRM4CHRM3MEN1
Hydrochloric Acid SCHEMBL2158609 0.98 CHRM2 (0.38) CHRM2CHRM1CHRM4CHRM3MEN1
Hydrochloric Acid SCHEMBL2881915 0.98 CHRM2 (0.38) CHRM2CHRM1CHRM4CHRM3MEN1
SCHEMBL7732630 0.86 CHRM2 (0.40) CHRM2CHRM1CHRM4CHRM3MEN1
SCHEMBL4152009 0.85 CHRM2 (0.39) CHRM2CHRM1CHRM4CHRM3MEN1
SCHEMBL938023 0.85 CHRM2 (0.39) CHRM2CHRM1CHRM4CHRM3MEN1
SCHEMBL938022 0.85 CHRM2 (0.39) CHRM2CHRM1CHRM4CHRM3MEN1
SCHEMBL4763656 0.85 CHRM2 (0.39) CHRM2CHRM1CHRM4CHRM3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130123242-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2013-05-16 US disclosed
US-20130123242-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2013-05-16 US disclosed
US-8329924-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2012-12-11 US disclosed
US-8329924-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2012-12-11 US disclosed
US-20110200553-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-08-18 US disclosed
US-20110200553-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-08-18 US disclosed
US-7985769-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-26 US disclosed
EP-2206709-A2 Thiophene derivatives as antiviral agents for flavivirus infection Virochem Pharma Inc. (CA) 2010-07-14 EP disclosed
US-20070099929-A1 Substituted thiophenes AICURIS GMBH & CO. KG (DE) 2007-05-03 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 (3 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-20110200553-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS HAVCR2, ZC3HAV1, MAVS CHRM2 4876/4885CHRM1 4852/4885CHRM4 4785/4885
US-20130123242-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS HAVCR2, ZC3HAV1, MAVS CHRM2 4876/4885CHRM1 4852/4885CHRM4 4785/4885
US-20070099929-A1 Substituted thiophenes TPMT, HAVCR2, MTAP CHRM2 4623/4885CHRM1 4486/4885CHRM4 4052/4885

“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.