SCHEMBL219220

SCHEMBL219220

O=P(O)(O)N1CCN(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.56
OPRM1 P35372 2/20 0.55
CHRM2 P08172 1/20 0.55
CHRM4 P08173 1/20 0.55
CHRM5 P08912 1/20 0.55
ADRA2A P08913 1/20 0.55
ADORA3 P0DMS8 1/20 0.55
CYP2D6 P10635 1/20 0.55
CHRM1 P11229 1/20 0.55
CHRM3 P20309 1/20 0.55
DRD1 P21728 1/20 0.55
ADRA1D P25100 1/20 0.55
HTR2A P28223 1/20 0.55
HTR2C P28335 1/20 0.55
HRH1 P35367 1/20 0.55
DRD3 P35462 1/20 0.55
HTR2B P41595 1/20 0.55
SLC6A3 Q01959 1/20 0.55
KCNH2 Q12809 1/20 0.55
MEN1 O00255 3/20 0.54

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
SCHEMBL2739069 0.82 MGLL (0.55) KMT2AOPRM1CHRM2CHRM4CHRM5
SCHEMBL2739068 0.82 KMT2A (0.53) KMT2AOPRM1CHRM2CHRM4CHRM5
SCHEMBL8175607 0.80 OPRM1 (0.78) KMT2AOPRM1CHRM2CHRM4CHRM5
SCHEMBL7977689 0.80 OPRM1 (0.78) KMT2AOPRM1CHRM2CHRM4CHRM5
SCHEMBL8186671 0.80 OPRM1 (0.78) KMT2AOPRM1CHRM2CHRM4CHRM5
SCHEMBL3919536 0.80 OPRM1 (0.78) KMT2AOPRM1CHRM2CHRM4CHRM5
SCHEMBL218960 0.78 CYP2D6 (0.54) KMT2AOPRM1CHRM2CHRM4CHRM5
SCHEMBL217564 0.76 ALDH1A1 (0.46) KMT2AOPRM1CHRM2CHRM4CHRM5
SCHEMBL27740637 0.75 CHRM2 (0.54) KMT2AOPRM1CHRM2CHRM4CHRM5
SCHEMBL217563 0.74 OPRM1 (0.50) KMT2AOPRM1CHRM2CHRM4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088918-B2 Noncardiotoxic pharmaceutical compounds WILLIAMSBURG HOLDINGS LLC (US) 2012-01-03 US disclosed
US-8088918-B2 Noncardiotoxic pharmaceutical compounds WILLIAMSBURG HOLDINGS LLC (US) 2012-01-03 US disclosed
US-8088918-B2 Noncardiotoxic pharmaceutical compounds WILLIAMSBURG HOLDINGS LLC (US) 2012-01-03 US disclosed
CN-101432003-A Non-cardiotoxic pharmaceutical compounds BARBEAU DONALD L (US) 2009-05-13 CN disclosed
EP-1778252-A2 NONCARDIOTOXIC PHARMACEUTICAL COMPOUNDS Barbeau, Donald L. (US) 2007-05-02 EP disclosed
WO-2006020573-A2 NONCARDIOTOXIC PHARMACEUTICAL COMPOUNDS BARBEAU DONALD L (US) 2006-02-23 WO disclosed
US-20060035863-A1 Noncardiotoxic pharmaceutical compounds B&G PARTNERS, LLC 2006-02-16 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 (1 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-20060035863-A1 Noncardiotoxic pharmaceutical compounds KCNN3, TNNI3, TNNT2 KMT2A 3617/4885OPRM1 2154/4885CHRM2 1326/4885

“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.