SCHEMBL578062

SCHEMBL578062

CCc1ccc(O)c(N(CCCc2ccccc2)C(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.44
ALOX15 P16050 1/20 0.44
CHRM2 P08172 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
CHRM1 P11229 1/20 0.42
DRD1 P21728 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
ADRA1A P35348 1/20 0.42
OPRM1 P35372 1/20 0.42
DRD3 P35462 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KCNH2 Q12809 1/20 0.42
SIGMAR1 Q99720 4/20 0.42
TRPA1 O75762 1/20 0.39
BCHE P06276 1/20 0.39
AOC3 Q16853 1/20 0.39

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
Hydrochloric Acid SCHEMBL580002 0.99 IGF1R (0.43) IGF1RALOX15CHRM2HTR1AADRA2A
SCHEMBL5197551 0.91 IGF1R (0.47) IGF1RALOX15CHRM2HTR1AADRA2A
SCHEMBL579843 0.82 SIGMAR1 (0.43) HTR1AADRA2ADRD1SLC6A2SLC6A4
SCHEMBL579854 0.82 CYP2D6 (0.45) IGF1RALOX15CHRM2HTR1AADRA2A
Hydrochloric Acid SCHEMBL580345 0.81 CYP2D6 (0.44) IGF1RALOX15CHRM2HTR1AADRA2A
SCHEMBL9521166 0.79 KCNH2 (0.50) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL9522150 0.73 KDM4E (0.50) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL9521674 0.70 SIGMAR1 (0.58) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL6872364 0.69 TSHR (0.39) HTR1AOPRM1DRD3
SCHEMBL22914791 0.69 IGF1R (0.47) IGF1RALOX15OPRM1DRD3

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 IGF1R 4699/4885ALOX15 646/4885CHRM2 22/4885

“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.