SCHEMBL580371

SCHEMBL580371

CCc1ccc(OC)c([C@@H](CCNC(C)C)c2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 12/20 0.47
KMT2A Q03164 12/20 0.47
OPRM1 P35372 3/20 0.46
OPRD1 P41143 2/20 0.46
OPRK1 P41145 2/20 0.46
NSD2 O96028 1/20 0.46
LMNA P02545 3/20 0.42
HTR1A P08908 2/20 0.42
ADORA3 P0DMS8 2/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
ADRA1A P35348 2/20 0.42
DRD3 P35462 2/20 0.42
SLC6A3 Q01959 2/20 0.42
KCNH2 Q12809 2/20 0.42
CYP3A4 P08684 2/20 0.42
CHRM2 P08172 2/20 0.42
CHRM1 P11229 2/20 0.42
ADRA2A P08913 1/20 0.42
SMPD1 P17405 1/20 0.42

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
SCHEMBL579842 1.00 MEN1 (0.47) MEN1KMT2AOPRM1OPRD1OPRK1
SCHEMBL580162 1.00 MEN1 (0.47) MEN1KMT2AOPRM1OPRD1OPRK1
SCHEMBL3687851 0.85 KMT2A (0.48) MEN1KMT2AOPRM1OPRD1OPRK1
SCHEMBL578061 0.82 MEN1 (0.47) MEN1KMT2AOPRM1OPRK1LMNA
SCHEMBL579949 0.82 MEN1 (0.47) MEN1KMT2AOPRM1OPRK1LMNA
SCHEMBL579948 0.82 MEN1 (0.47) MEN1KMT2AOPRM1OPRK1LMNA
SCHEMBL579976 0.82 CHRM2 (0.46) MEN1KMT2ALMNACHRM2CHRM1
SCHEMBL580492 0.82 CHRM2 (0.46) MEN1KMT2ALMNACHRM2CHRM1
SCHEMBL579637 0.82 CHRM2 (0.46) MEN1KMT2ALMNACHRM2CHRM1
SCHEMBL580382 0.81 KMT2A (0.46) MEN1KMT2AOPRM1OPRD1OPRK1

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
EP-1633695-B1 SMOOTH MUSCLE SPASMOLYTIC AGENTS BRIDGE PHARMA INC (US) 2012-02-15 EP disclosed
EP-1633695-A4 SMOOTH MUSCLE SPASMOLYTIC AGENTS BRIDGE PHARMA INC (US) 2007-12-12 EP disclosed
US-7141696-B2 Smooth muscle spasmolytic agents BRIDGE PHARMA, INC. (US) 2006-11-28 US disclosed
EP-1633695-A2 SMOOTH MUSCLE SPASMOLYTIC AGENTS Bridge Pharma, Inc. (US) 2006-03-15 EP disclosed
WO-2004105692-A2 SMOOTH MUSCLE SPASMOLYTIC AGENTS BRIDGE PHARMA, INC. (US) 2004-12-09 WO disclosed
US-20040248987-A1 Smooth muscle spasmolytic agents BRIDGE PHARMA, INC. 2004-12-09 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-20040248987-A1 Smooth muscle spasmolytic agents MYLK, TNNC1, MYLK2 MEN1 2669/4885KMT2A 1676/4885OPRM1 972/4885

“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.