SCHEMBL579985

SCHEMBL579985

CC(C)NCC[C@H](c1ccccc1)c1cc(C(C)C)ccc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.47
ADRA1A P35348 4/20 0.47
HRH1 P35367 4/20 0.47
MAPT P10636 4/20 0.47
SLC6A4 P31645 3/20 0.47
KCNH2 Q12809 3/20 0.47
CHRM2 P08172 3/20 0.47
CHRM1 P11229 3/20 0.47
HTR2A P28223 3/20 0.47
OPRK1 P41145 2/20 0.47
CACNA1C Q13936 2/20 0.47
SCN5A Q14524 2/20 0.47
CHRM5 P08912 2/20 0.47
CHRM3 P20309 2/20 0.47
ESR1 P03372 1/20 0.47
CHRM4 P08173 1/20 0.47
KCNE1 P15382 1/20 0.47
PTGS1 P23219 1/20 0.47
HRH2 P25021 1/20 0.47
KCNQ1 P51787 1/20 0.47

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
SCHEMBL580461 1.00 LMNA (0.47) LMNAADRA1AHRH1MAPTSLC6A4
SCHEMBL579977 1.00 LMNA (0.47) LMNAADRA1AHRH1MAPTSLC6A4
Hydrochloric Acid SCHEMBL5199828 0.99 CYP3A4 (0.48) LMNAADRA1AHRH1MAPTSLC6A4
SCHEMBL579694 0.86 CHRM2 (0.64) LMNAADRA1AHRH1MAPTSLC6A4
SCHEMBL560996 0.86 CHRM2 (0.64) LMNAADRA1AHRH1MAPTSLC6A4
SCHEMBL579695 0.86 CHRM2 (0.64) LMNAADRA1AHRH1MAPTSLC6A4
SCHEMBL579949 0.84 MEN1 (0.47) LMNAADRA1AHRH1MAPTSLC6A4
SCHEMBL580184 0.84 MEN1 (0.47) LMNAADRA1AHRH1MAPTSLC6A4
SCHEMBL580170 0.84 MEN1 (0.47) LMNAADRA1AHRH1MAPTSLC6A4
SCHEMBL580169 0.84 MEN1 (0.47) LMNAADRA1AHRH1MAPTSLC6A4

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 LMNA 406/4885ADRA1A 35/4885HRH1 589/4885

“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.