SCHEMBL3200738

SCHEMBL3200738

CCOC(=O)C1=C(c2ccc(-c3ccccc3)cc2)CCN(Cc2ccccc2)C1

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 20/20 0.73
CHRM1 P11229 20/20 0.73
CHRM2 P08172 17/20 0.73
CHRM4 P08173 17/20 0.73
CHRM3 P20309 17/20 0.73

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
SCHEMBL17474536 0.98 CHRM5 (0.76) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL17474535 0.94 CHRM5 (0.68) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL17474568 0.94 CHRM5 (0.68) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL17474626 0.93 CHRM5 (0.67) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL17474558 0.92 CHRM5 (0.65) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL17488514 0.92 CHRM5 (0.65) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL17474611 0.91 CHRM5 (0.68) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL17474596 0.91 CHRM5 (0.64) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL17474520 0.90 CHRM5 (0.63) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL17474602 0.90 CHRM5 (0.63) CHRM5CHRM1CHRM2CHRM4CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170298042-A1 VMAT INHIBITORY COMPOUNDS OREGON HEALTH & SCIENCE UNIVERSITY (US) 2017-10-19 US disclosed
US-20170298042-A1 VMAT INHIBITORY COMPOUNDS OREGON HEALTH & SCIENCE UNIVERSITY (US) 2017-10-19 US disclosed
US-20170298042-A1 VMAT INHIBITORY COMPOUNDS OREGON HEALTH & SCIENCE UNIVERSITY (US) 2017-10-19 US disclosed
EP-3174864-A2 VMAT INHIBITORY COMPOUNDS Oregon Health & Science University (US) 2017-06-07 EP disclosed
US-9546151-B2 VMAT inhibitory compounds OREGON HEALTH & SCIENCE UNIVERSITY (US) 2017-01-17 US disclosed
US-9546151-B2 VMAT inhibitory compounds OREGON HEALTH & SCIENCE UNIVERSITY (US) 2017-01-17 US disclosed
US-9546151-B2 VMAT inhibitory compounds OREGON HEALTH & SCIENCE UNIVERSITY (US) 2017-01-17 US disclosed
US-20160031852-A1 VMAT INHIBITORY COMPOUNDS WILMINGTON TRUST (LONDON) LIMITED, AS SECURITY AGENT (GB) 2016-02-04 US disclosed
US-20160031852-A1 VMAT INHIBITORY COMPOUNDS WILMINGTON TRUST (LONDON) LIMITED, AS SECURITY AGENT (GB) 2016-02-04 US disclosed
WO-2016019312-A2 VMAT INHIBITORY COMPOUNDS OREGON HEALTH & SCIENCE UNIVERSITY (US) 2016-02-04 WO disclosed
US-20160031852-A1 VMAT INHIBITORY COMPOUNDS WILMINGTON TRUST (LONDON) LIMITED, AS SECURITY AGENT (GB) 2016-02-04 US disclosed
WO-2016019312-A2 VMAT INHIBITORY COMPOUNDS OREGON HEALTH & SCIENCE UNIVERSITY (US) 2016-02-04 WO disclosed
US-20100035865-A1 Sulfonamides and Pharmaceutical Compositions Thereof PFIZER INC 2010-02-11 US disclosed
EP-2142505-A1 SULFONAMIDES AND PHARMACEUTICAL COMPOSITIONS THEREOF Pfizer, Inc. (US) 2010-01-13 EP disclosed
WO-2008120093-A1 SULFONAMIDES AND PHARMACEUTICAL COMPOSITIONS THEREOF PFIZER INC. (US) 2008-10-09 WO 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-20170298042-A1 VMAT INHIBITORY COMPOUNDS SLC18A2, SLC18A3, SLC6A2 CHRM5 779/4885CHRM1 1642/4885CHRM2 1233/4885
US-20160031852-A1 VMAT INHIBITORY COMPOUNDS SLC18A2, SLC18A3, SLC6A2 CHRM5 779/4885CHRM1 1642/4885CHRM2 1233/4885
US-20100035865-A1 Sulfonamides and Pharmaceutical Compositions Thereof STS, SULT2A1, SULT1A1 CHRM5 4063/4885CHRM1 4526/4885CHRM2 4097/4885

“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.